2-[6,10-bis(oxidanyl)-9-oxidanylidene-1,4-dihydrophenanthren-4a-yl]ethanenitrile

Systemtic Name: 2-[6,10-bis(oxidanyl)-9-oxidanylidene-1,4-dihydrophenanthren-4a-yl]ethanenitrile Openeye Name: 2-(6,10-dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile CAS Name: 2-(6,10-dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile IUPAC Name: 2-(6,10-dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile Traditional Name: 2-(6,10-dihydroxy-9-keto-1,4-dihydrophenanthren-4a-yl)acetonitrile Formula: C16H13NO3 MolecularWeight: 267.27932

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2(C1=C(C(=O)C3=C2C=C(C=C3)O)O)CC#N

Isomeric SMILES

C1C=CCC2(C1=C(C(=O)C3=C2C=C(C=C3)O)O)CC#N

InChI

InChI=1S/C16H13NO3/c17-8-7-16-6-2-1-3-12(16)15(20)14(19)11-5-4-10(18)9-13(11)16/h1-2,4-5,9,18,20H,3,6-7H2