4-[[[2-[(4-carboxylatophenyl)methylamino]-2-oxidanylidene-ethanoyl]amino]methyl]benzoate

Systemtic Name: 4-[[[2-[(4-carboxylatophenyl)methylamino]-2-oxidanylidene-ethanoyl]amino]methyl]benzoate Openeye Name: 4-[[[2-[(4-carboxylatophenyl)methylamino]-2-oxo-acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-carboxylatophenyl)methylamino]-1,2-dioxoethyl]amino]methyl]benzoate IUPAC Name: 4-[[[2-[(4-carboxylatophenyl)methylamino]-2-oxoacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-carboxylatobenzyl)amino]-2-keto-acetyl]amino]methyl]benzoate Formula: C18H14N2O6-2 MolecularWeight: 354.31356

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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)/p-2