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

Systemtic Name: N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]prop-2-enamide Openeye Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]prop-2-enamide CAS Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-2-propenamide IUPAC Name: N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]prop-2-enamide Traditional Name: N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]acrylamide Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2/c1-2-12(18)15-9-5-3-8(4-6-9)13-10-7-11(10)14(19)17-16-13/h2-6,10-11H,1,7H2,(H,15,18)(H,17,19)