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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxo-butanenitrile CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxobutanenitrile IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-4-oxobutanenitrile Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-4-(2-methoxyphenyl)butyronitrile Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)CC(C#N)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15NO4/c1-21-16-5-3-2-4-14(16)15(20)8-13(10-19)12-6-7-17-18(9-12)23-11-22-17/h2-7,9,13H,8,11H2,1H3