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

Systemtic Name: O1-methyl O4-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-(2-methyl-4-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=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

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