2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-ethylphenyl)-4-keto-butyronitrile Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H17NO3/c1-2-13-3-5-14(6-4-13)17(21)9-16(11-20)15-7-8-18-19(10-15)23-12-22-18/h3-8,10,16H,2,9,12H2,1H3