2-methyl-1-oxidanylidene-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile

Systemtic Name: 2-methyl-1-oxidanylidene-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile Openeye Name: 2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile CAS Name: 2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile IUPAC Name: 2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile Traditional Name: 1-keto-2-methyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carbonitrile Formula: C16H17NO MolecularWeight: 239.31228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1=O)CCC3=CC=CC=C23)C#N

Isomeric SMILES

CC1(CCC2C(C1=O)CCC3=CC=CC=C23)C#N

InChI

InChI=1S/C16H17NO/c1-16(10-17)9-8-13-12-5-3-2-4-11(12)6-7-14(13)15(16)18/h2-5,13-14H,6-9H2,1H3