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

Systemtic Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[2-cyanoethyl(2-furylmethyl)amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[2-cyanoethyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[2-cyanoethyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C15H14BrN3O4 MolecularWeight: 380.19336

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=COC(=C1)CN(CCC#N)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H14BrN3O4/c16-11-7-13(18-8-11)15(21)23-10-14(20)19(5-2-4-17)9-12-3-1-6-22-12/h1,3,6-8,18H,2,5,9-10H2