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

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C19H19N3O8 MolecularWeight: 417.36946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8/c1-4-29-15-7-5-14(6-8-15)20-18(23)12(3)30-19(24)13-9-16(21(25)26)11(2)17(10-13)22(27)28/h5-10,12H,4H2,1-3H3,(H,20,23)