[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-10-2-4-12(5-3-10)17-15(20)9-26-16(21)11-6-13(18(22)23)8-14(7-11)19(24)25/h2-8H,9H2,1H3,(H,17,20)