3-(3,3-dimethyl-1-oxidanylidene-2H-inden-5-yl)benzenecarbonitrile

Systemtic Name: 3-(3,3-dimethyl-1-oxidanylidene-2H-inden-5-yl)benzenecarbonitrile Openeye Name: 3-(3,3-dimethyl-1-oxo-indan-5-yl)benzonitrile CAS Name: 3-(3,3-dimethyl-1-oxo-2H-inden-5-yl)benzonitrile IUPAC Name: 3-(3,3-dimethyl-1-oxo-2H-inden-5-yl)benzonitrile Traditional Name: 3-(1-keto-3,3-dimethyl-indan-5-yl)benzonitrile Formula: C18H15NO MolecularWeight: 261.3178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C1C=C(C=C2)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1(CC(=O)C2=C1C=C(C=C2)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C18H15NO/c1-18(2)10-17(20)15-7-6-14(9-16(15)18)13-5-3-4-12(8-13)11-19/h3-9H,10H2,1-2H3