O1-methyl O4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-methyl-3-nitroanilino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester O1-methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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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)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-11-3-8-14(9-15(11)20(24)25)19-16(21)10-27-18(23)13-6-4-12(5-7-13)17(22)26-2/h3-9H,10H2,1-2H3,(H,19,21)