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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-11-5-6-14(9-15(11)21(24)25)20-18(22)10-28-19(23)13-7-16(26-3)12(2)17(8-13)27-4/h5-9H,10H2,1-4H3,(H,20,22)