3-[(3-nitrophenyl)methyl]-4-[[3-(phenylmethyl)phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[(3-nitrophenyl)methyl]-4-[[3-(phenylmethyl)phenyl]carbonylamino]benzoic acid Openeye Name: 4-[(3-benzylbenzoyl)amino]-3-[(3-nitrophenyl)methyl]benzoic acid CAS Name: 3-[(3-nitrophenyl)methyl]-4-[[oxo-[3-(phenylmethyl)phenyl]methyl]amino]benzoic acid IUPAC Name: 4-[(3-benzylbenzoyl)amino]-3-[(3-nitrophenyl)methyl]benzoic acid Traditional Name: 4-[(3-benzylbenzoyl)amino]-3-(3-nitrobenzyl)benzoic acid Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H22N2O5/c31-27(22-10-4-8-20(15-22)14-19-6-2-1-3-7-19)29-26-13-12-23(28(32)33)18-24(26)16-21-9-5-11-25(17-21)30(34)35/h1-13,15,17-18H,14,16H2,(H,29,31)(H,32,33)