O3-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-diethoxyanilino)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-diethoxyanilino)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-diethoxyanilino)-2-keto-ethyl] ester O1-methyl ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H22N2O9/c1-4-30-17-7-6-15(11-18(17)31-5-2)22-19(24)12-32-21(26)14-8-13(20(25)29-3)9-16(10-14)23(27)28/h6-11H,4-5,12H2,1-3H3,(H,22,24)