methyl 3-(3,4-dimethoxyphenyl)-3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-imidazol-1-yl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[[4-(1-imidazolyl)-3-nitrophenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(4-imidazol-1-yl-3-nitrobenzoyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(4-imidazol-1-yl-3-nitro-benzoyl)amino]propionic acid methyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O7/c1-31-19-7-5-14(11-20(19)32-2)16(12-21(27)33-3)24-22(28)15-4-6-17(18(10-15)26(29)30)25-9-8-23-13-25/h4-11,13,16H,12H2,1-3H3,(H,24,28)