3-(7-methyl-5-oxidanylidene-7,8-dihydro-6H-cinnolin-3-yl)benzenecarbonitrile

Systemtic Name: 3-(7-methyl-5-oxidanylidene-7,8-dihydro-6H-cinnolin-3-yl)benzenecarbonitrile Openeye Name: 3-(7-methyl-5-oxo-7,8-dihydro-6H-cinnolin-3-yl)benzonitrile CAS Name: 3-(7-methyl-5-oxo-7,8-dihydro-6H-cinnolin-3-yl)benzonitrile IUPAC Name: 3-(7-methyl-5-oxo-7,8-dihydro-6H-cinnolin-3-yl)benzonitrile Traditional Name: 3-(5-keto-7-methyl-7,8-dihydro-6H-cinnolin-3-yl)benzonitrile Formula: C16H13N3O MolecularWeight: 263.29392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=NN=C(C=C2C(=O)C1)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1CC2=NN=C(C=C2C(=O)C1)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N3O/c1-10-5-15-13(16(20)6-10)8-14(18-19-15)12-4-2-3-11(7-12)9-17/h2-4,7-8,10H,5-6H2,1H3