6,7-diethanoyl-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile

Systemtic Name: 6,7-diethanoyl-1,4a-dimethyl-9-oxidanylidene-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Openeye Name: 6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile CAS Name: 6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile IUPAC Name: 6,7-diacetyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Traditional Name: 6,7-diacetyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carbonitrile Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C#N)C)C(=O)C

Isomeric SMILES

CC(=O)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C#N)C)C(=O)C

InChI

InChI=1S/C21H23NO3/c1-12(23)14-8-16-17(9-15(14)13(2)24)21(4)7-5-6-20(3,11-22)19(21)10-18(16)25/h8-9,19H,5-7,10H2,1-4H3