4-[[[2-[(4-carboxyphenyl)methylamino]-2-oxidanylidene-ethanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[(4-carboxyphenyl)methylamino]-2-oxidanylidene-ethanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-carboxyphenyl)methylamino]-2-oxo-acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(4-carboxyphenyl)methylamino]-1,2-dioxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(4-carboxyphenyl)methylamino]-2-oxoacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(4-carboxybenzyl)amino]-2-keto-acetyl]amino]methyl]benzoic acid Formula: C18H16N2O6 MolecularWeight: 356.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H16N2O6/c21-15(19-9-11-1-5-13(6-2-11)17(23)24)16(22)20-10-12-3-7-14(8-4-12)18(25)26/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)