3-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzenecarbonitrile

Systemtic Name: 3-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzenecarbonitrile Openeye Name: 3-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzonitrile CAS Name: 3-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzonitrile IUPAC Name: 3-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzonitrile Traditional Name: 3-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)benzonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1C(=O)NN=C2C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C2C1C(=O)NN=C2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C12H9N3O/c13-6-7-2-1-3-8(4-7)11-9-5-10(9)12(16)15-14-11/h1-4,9-10H,5H2,(H,15,16)