methyl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate

Systemtic Name: methyl 3,5-dinitro-4-[(phenylmethyl)amino]benzoate Openeye Name: methyl 4-(benzylamino)-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-4-[(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-3,5-dinitrobenzoate Traditional Name: 4-(benzylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-24-15(19)11-7-12(17(20)21)14(13(8-11)18(22)23)16-9-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3