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

Systemtic Name: O3-[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O7/c1-4-32-22(28)17-11-18(13-20(12-17)26(30)31)23(29)33-14-21(27)25(7-5-6-24)19-9-15(2)8-16(3)10-19/h8-13H,4-5,7,14H2,1-3H3