3-[3-(methoxymethyl)-2,6-bis(oxidanylidene)cyclohexyl]-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[3-(methoxymethyl)-2,6-bis(oxidanylidene)cyclohexyl]-4-methyl-benzenecarbonitrile Openeye Name: 3-[3-(methoxymethyl)-2,6-dioxo-cyclohexyl]-4-methyl-benzonitrile CAS Name: 3-[3-(methoxymethyl)-2,6-dioxocyclohexyl]-4-methylbenzonitrile IUPAC Name: 3-[3-(methoxymethyl)-2,6-dioxocyclohexyl]-4-methylbenzonitrile Traditional Name: 3-[2,6-diketo-3-(methoxymethyl)cyclohexyl]-4-methyl-benzonitrile Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)C2C(=O)CCC(C2=O)COC

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)C2C(=O)CCC(C2=O)COC

InChI

InChI=1S/C16H17NO3/c1-10-3-4-11(8-17)7-13(10)15-14(18)6-5-12(9-20-2)16(15)19/h3-4,7,12,15H,5-6,9H2,1-2H3