[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C15H16N4O4 MolecularWeight: 316.31194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C15H16N4O4/c1-11(20)12-8-13(18-9-12)15(22)23-10-14(21)19(6-2-4-16)7-3-5-17/h8-9,18H,2-3,6-7,10H2,1H3