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

Systemtic Name: O3-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C22H21N3O7 MolecularWeight: 439.41804

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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)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O7/c1-3-31-21(27)16-12-17(14-19(13-16)25(29)30)22(28)32-15(2)20(26)24(11-7-10-23)18-8-5-4-6-9-18/h4-6,8-9,12-15H,3,7,11H2,1-2H3