4-(2-bromanylprop-2-enoylamino)-N-(2-cyanoethyl)-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-(2-bromanylprop-2-enoylamino)-N-(2-cyanoethyl)-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-(2-bromoprop-2-enoylamino)-N-(2-cyanoethyl)-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[(2-bromo-1-oxoprop-2-enyl)amino]-N-(2-cyanoethyl)-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-(2-bromoprop-2-enoylamino)-N-(2-cyanoethyl)-1-methylpyrrole-2-carboxamide Traditional Name: 4-[(2-bromoacryloyl)amino]-N-(2-cyanoethyl)-1-methyl-pyrrole-2-carboxamide Formula: C12H13BrN4O2 MolecularWeight: 325.16122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC#N)NC(=O)C(=C)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC#N)NC(=O)C(=C)Br

InChI

InChI=1S/C12H13BrN4O2/c1-8(13)11(18)16-9-6-10(17(2)7-9)12(19)15-5-3-4-14/h6-7H,1,3,5H2,2H3,(H,15,19)(H,16,18)