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

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O9 MolecularWeight: 434.39668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O9/c1-11(19(23)21-14-10-13(22(25)26)6-7-15(14)27-2)31-20(24)12-8-16(28-3)18(30-5)17(9-12)29-4/h6-11H,1-5H3,(H,21,23)