(3E)-3a-oxidanyl-3-(phenylmethylidene)-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile

Systemtic Name: (3E)-3a-oxidanyl-3-(phenylmethylidene)-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile Openeye Name: (3E)-3-benzylidene-3a-hydroxy-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile CAS Name: (3E)-3a-hydroxy-3-(phenylmethylene)-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile IUPAC Name: (3E)-3-benzylidene-3a-hydroxy-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile Traditional Name: (3E)-3-benzal-3a-hydroxy-2,4,5,6,7,7a-hexahydro-1H-indene-2-carbonitrile Formula: C17H19NO MolecularWeight: 253.33886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)CC(C2=CC3=CC=CC=C3)C#N)O

Isomeric SMILES

C1CCC\2(C(C1)CC(/C2=C\C3=CC=CC=C3)C#N)O

InChI

InChI=1S/C17H19NO/c18-12-14-11-15-8-4-5-9-17(15,19)16(14)10-13-6-2-1-3-7-13/h1-3,6-7,10,14-15,19H,4-5,8-9,11H2/b16-10+