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

Systemtic Name: 4-[(4-chlorophenyl)methyl-(3-nitrophenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[(4-chlorophenyl)methyl-(3-nitrobenzoyl)amino]butanoic acid CAS Name: 4-[(4-chlorophenyl)methyl-[(3-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(4-chlorophenyl)methyl-(3-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[(4-chlorobenzyl)-(3-nitrobenzoyl)amino]butyric acid Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N(CCCC(=O)O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O5/c19-15-8-6-13(7-9-15)12-20(10-2-5-17(22)23)18(24)14-3-1-4-16(11-14)21(25)26/h1,3-4,6-9,11H,2,5,10,12H2,(H,22,23)