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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-11-4-5-13(8-16(11)20(23)24)19-17(21)10-27-18(22)12-6-14(25-2)9-15(7-12)26-3/h4-9H,10H2,1-3H3,(H,19,21)