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

Systemtic Name: O3-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester O1-ethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-2-30-20(26)15-11-16(13-18(12-15)24(28)29)21(27)31-14-19(25)23(10-6-9-22)17-7-4-3-5-8-17/h3-5,7-8,11-13H,2,6,10,14H2,1H3