(1R,4aS,10aR)-7-ethanoyl-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile

Systemtic Name: (1R,4aS,10aR)-7-ethanoyl-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Openeye Name: (1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile CAS Name: (1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile IUPAC Name: (1R,4aS,10aR)-7-acetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Traditional Name: (1R,4aS,10aR)-7-acetyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C#N)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C#N)C

InChI

InChI=1S/C19H21NO2/c1-12(21)13-5-6-15-14(9-13)16(22)10-17-18(2,11-20)7-4-8-19(15,17)3/h5-6,9,17H,4,7-8,10H2,1-3H3/t17-,18-,19+/m0/s1