3-[(4-nitrophenyl)methylamino]benzoic acid

Systemtic Name: 3-[(4-nitrophenyl)methylamino]benzoic acid Openeye Name: 3-[(4-nitrophenyl)methylamino]benzoic acid CAS Name: 3-[(4-nitrophenyl)methylamino]benzoic acid IUPAC Name: 3-[(4-nitrophenyl)methylamino]benzoic acid Traditional Name: 3-[(4-nitrobenzyl)amino]benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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