3,5-dinitro-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 3,5-dinitro-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-3,5-dinitro-benzoic acid CAS Name: 3,5-dinitro-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-3,5-dinitrobenzoic acid Traditional Name: 2-(benzylamino)-3,5-dinitro-benzoic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c18-14(19)11-6-10(16(20)21)7-12(17(22)23)13(11)15-8-9-4-2-1-3-5-9/h1-7,15H,8H2,(H,18,19)