methyl 3-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: methyl 3-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: methyl 2-(benzylamino)-3-nitro-benzoate CAS Name: 3-nitro-2-[(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-nitrobenzoate Traditional Name: 2-(benzylamino)-3-nitro-benzoic acid methyl ester Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-21-15(18)12-8-5-9-13(17(19)20)14(12)16-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3