O1-ethyl O3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(2-methylanilino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C20H20N2O7/c1-4-28-19(24)14-9-15(11-16(10-14)22(26)27)20(25)29-13(3)18(23)21-17-8-6-5-7-12(17)2/h5-11,13H,4H2,1-3H3,(H,21,23)