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                当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » ZINC03461004 [2-(cyclopentylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophen

                ZINC03461004 [2-(cyclopentylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophen

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                新萄京娱乐场老牌网址:ZINC03461004 [2-(cyclopentylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate,Canonical SMILES: C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-],InChI: InChI=1/C20H19ClN2O6/c21-14-7-10-18(17(11-14)23(26)27)29-16-8-5-13(6-9-,16)2
                [Synonyms]
                ZINC03461004
                [Structure]
                ZINC03461004 [2-(cyclopentylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophen

                [ Properties Computed from Structure]
                Molecular Weight418.82766 [g/mol]
                Molecular FormulaC20H19ClN2O6
                XLogP4.4
                H-Bond Donor1
                H-Bond Acceptor6
                Rotatable Bond Count7
                Tautomer Count2
                Exact Mass418.093164
                MonoIsotopic Mass418.093164
                Topological Polar Surface Area108
                Heavy Atom Count29
                Formal Charge0
                Complexity584
                Isotope Atom Count0
                Defined Atom StereoCenter Count0
                Undefined Atom StereoCenter Count0
                Defined Bond StereoCenter Count0
                Undefined Bond StereoCenter Count0
                Covalently-Bonded Unit Count1

                [ Descriptors Computed from Structure]
                IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)benzoate
                Canonical SMILES: C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]
                InChI: InChI=1/C20H19ClN2O6/c21-14-7-10-18(17(11-14)23(26)27)29-16-8-5-13(6-9-
                16)20(25)28-12-19(24)22-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,22,
                24)/f/h22H

                 
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