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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=C(NC=C1Br)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C13H13BrN4O3/c14-10-7-11(17-8-10)13(20)21-9-12(19)18(5-1-3-15)6-2-4-16/h7-8,17H,1-2,5-6,9H2