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

Systemtic Name: O3-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(3,4-diethoxyanilino)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-diethoxyanilino)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(3,4-diethoxyanilino)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(3,4-diethoxyanilino)-2-keto-ethyl] ester O1-ethyl ester Formula: C22H24N2O9 MolecularWeight: 460.43396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O9/c1-4-30-18-8-7-16(12-19(18)31-5-2)23-20(25)13-33-22(27)15-9-14(21(26)32-6-3)10-17(11-15)24(28)29/h7-12H,4-6,13H2,1-3H3,(H,23,25)