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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

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