4-[(3,4-dimethoxyphenyl)methyl-(4-nitrophenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl-(4-nitrophenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl-(4-nitrobenzoyl)amino]butanoic acid CAS Name: 4-[(3,4-dimethoxyphenyl)methyl-[(4-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl-(4-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(4-nitrobenzoyl)-veratryl-amino]butyric acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-28-17-10-5-14(12-18(17)29-2)13-21(11-3-4-19(23)24)20(25)15-6-8-16(9-7-15)22(26)27/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,24)