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

Systemtic Name: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(2,3-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-10-6-5-7-15(11(10)2)20-18(23)13(4)29-19(24)14-8-16(21(25)26)12(3)17(9-14)22(27)28/h5-9,13H,1-4H3,(H,20,23)