3-[(3-bromophenyl)amino]-N-butanoyl-2-cyano-prop-2-enamide

Systemtic Name: 3-[(3-bromophenyl)amino]-N-butanoyl-2-cyano-prop-2-enamide Openeye Name: 3-(3-bromoanilino)-N-butanoyl-2-cyano-prop-2-enamide CAS Name: 3-(3-bromoanilino)-2-cyano-N-(1-oxobutyl)-2-propenamide IUPAC Name: 3-(3-bromoanilino)-N-butanoyl-2-cyanoprop-2-enamide Traditional Name: 3-(3-bromoanilino)-N-butyryl-2-cyano-acrylamide Formula: C14H14BrN3O2 MolecularWeight: 336.18386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=O)C(=CNC1=CC(=CC=C1)Br)C#N

Isomeric SMILES

CCCC(=O)NC(=O)C(=CNC1=CC(=CC=C1)Br)C#N

InChI

InChI=1S/C14H14BrN3O2/c1-2-4-13(19)18-14(20)10(8-16)9-17-12-6-3-5-11(15)7-12/h3,5-7,9,17H,2,4H2,1H3,(H,18,19,20)