4-nitro-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 4-nitro-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-4-nitro-benzoic acid CAS Name: 4-nitro-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-4-nitrobenzoic acid Traditional Name: 2-(benzylamino)-4-nitro-benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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