[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-methyl-3,5-dinitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-11(2)14-6-4-5-7-15(14)20-18(23)10-29-19(24)13-8-16(21(25)26)12(3)17(9-13)22(27)28/h4-9,11H,10H2,1-3H3,(H,20,23)