[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C19H20N2O8/c1-11-6-5-7-13(21(24)25)17(11)20-16(22)10-29-19(23)12-8-14(26-2)18(28-4)15(9-12)27-3/h5-9H,10H2,1-4H3,(H,20,22)