3-nitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: 3-nitro-4-[(phenylmethyl)amino]benzoate Openeye Name: 4-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-[(phenylmethyl)amino]benzoate IUPAC Name: 4-(benzylamino)-3-nitrobenzoate Traditional Name: 4-(benzylamino)-3-nitro-benzoate Formula: C14H11N2O4- MolecularWeight: 271.24814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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