O1-methyl O4-[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-methyl 4-O-[1-(2-nitroanilino)-1-oxopropan-2-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester O1-methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

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