[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c1-10-6-4-5-7-14(10)19-17(22)12(3)28-18(23)13-8-15(20(24)25)11(2)16(9-13)21(26)27/h4-9,12H,1-3H3,(H,19,22)