2-[(3S)-3-[(3S)-4-methyl-1-oxidanylidene-pentan-3-yl]-2,3-dihydrochromen-4-ylidene]propanedinitrile

Systemtic Name: 2-[(3S)-3-[(3S)-4-methyl-1-oxidanylidene-pentan-3-yl]-2,3-dihydrochromen-4-ylidene]propanedinitrile Openeye Name: 2-[(3S)-3-[(1S)-2-methyl-1-(2-oxoethyl)propyl]chroman-4-ylidene]propanedinitrile CAS Name: 2-[(3S)-3-[(3S)-4-methyl-1-oxopentan-3-yl]-3,4-dihydro-2H-1-benzopyran-4-ylidene]propanedinitrile IUPAC Name: 2-[(3S)-3-[(3S)-4-methyl-1-oxopentan-3-yl]-2,3-dihydrochromen-4-ylidene]propanedinitrile Traditional Name: 2-[(3S)-3-[(1S)-1-(2-ketoethyl)-2-methyl-propyl]chroman-4-ylidene]malononitrile Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC=O)C1COC2=CC=CC=C2C1=C(C#N)C#N

Isomeric SMILES

CC(C)[C@H](CC=O)[C@@H]1COC2=CC=CC=C2C1=C(C#N)C#N

InChI

InChI=1S/C18H18N2O2/c1-12(2)14(7-8-21)16-11-22-17-6-4-3-5-15(17)18(16)13(9-19)10-20/h3-6,8,12,14,16H,7,11H2,1-2H3/t14-,16-/m0/s1