3-[(3-nitrophenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3-nitrophenyl)methylamino]benzoic acid Openeye Name: 3-[(3-nitrophenyl)methylamino]benzoic acid CAS Name: 3-[(3-nitrophenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-nitrophenyl)methylamino]benzoic acid Traditional Name: 3-[(3-nitrobenzyl)amino]benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H12N2O4/c17-14(18)11-4-2-5-12(8-11)15-9-10-3-1-6-13(7-10)16(19)20/h1-8,15H,9H2,(H,17,18)