2-bromanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide

Systemtic Name: 2-bromanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Openeye Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide CAS Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide IUPAC Name: 2-bromo-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Traditional Name: 2-bromo-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propionamide Formula: C14H14BrN3O2 MolecularWeight: 336.18386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)Br

InChI

InChI=1S/C14H14BrN3O2/c1-7(15)13(19)16-9-4-2-8(3-5-9)12-10-6-11(10)14(20)18-17-12/h2-5,7,10-11H,6H2,1H3,(H,16,19)(H,18,20)