[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethoxybenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethoxybenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H20N2O8/c1-11(18(22)20-12-6-5-7-13(8-12)21(24)25)29-19(23)14-9-16(27-3)17(28-4)10-15(14)26-2/h5-11H,1-4H3,(H,20,22)