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

Systemtic Name: O3-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] O1-methyl 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-methyl ester IUPAC Name: 3-O-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 1-O-methyl 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-methyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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