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          当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » [(2S)-1-[(2-methoxy-5-nitrophenyl)amino]-1-oxopropan-2-yl],(Z)-3-(2,3

          [(2S)-1-[(2-methoxy-5-nitrophenyl)amino]-1-oxopropan-2-yl],(Z)-3-(2,3

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          新萄京娱乐场老牌网址: [(2S)-1-[(2-methoxy-5-nitrophenyl)amino]-1-oxopropan-2-yl],(Z)-3-(2,3-dimethoxyphenyl)prop-2-enoate,Canonical SMILES: CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C=CC2=C(C(=CC=C2)OC)OC,Isomeric SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC
          [Synonyms]

          [Structure]
           [(2S)-1-[(2-methoxy-5-nitrophenyl)amino]-1-oxopropan-2-yl],(Z)-3-(2,3

          [ Properties Computed from Structure]
          Molecular Weight430.40798 [g/mol]
          Molecular FormulaC21H22N2O8
          XLogP2.9
          H-Bond Donor1
          H-Bond Acceptor8
          Rotatable Bond Count9
          Tautomer Count2
          Exact Mass430.137616
          MonoIsotopic Mass430.137616
          Topological Polar Surface Area126
          Heavy Atom Count31
          Formal Charge0
          Complexity650
          Isotope Atom Count0
          Defined Atom StereoCenter Count1
          Undefined Atom StereoCenter Count0
          Defined Bond StereoCenter Count1
          Undefined Bond StereoCenter Count0
          Covalently-Bonded Unit Count1

          [ Descriptors Computed from Structure]
          IUPAC Name: [(2S)-1-[(2-methoxy-5-nitrophenyl)amino]-1-oxopropan-2-yl]
          (Z)-3-(2,3-dimethoxyphenyl)prop-2-enoate
          Canonical SMILES: CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C=CC2=C(C(=CC=C2)OC)OC
          Isomeric SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)\C=C/C2=C(C(=CC=C2)OC)
          OC
          InChI: InChI=1/C21H22N2O8/c1-13(21(25)22-16-12-15(23(26)27)9-10-17(16)28-2)31-
          19(24)11-8-14-6-5-7-18(29-3)20(14)30-4/h5-13H,1-4H3,(H,22,
          25)/b11-8-/t13-/m0/s1/f/h22H

           
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