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

Systemtic Name: O3-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(2-cyanoanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H17N3O7/c1-3-29-19(25)14-8-15(10-16(9-14)23(27)28)20(26)30-12(2)18(24)22-17-7-5-4-6-13(17)11-21/h4-10,12H,3H2,1-2H3,(H,22,24)