4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(2,5-dimethylphenyl)-2-keto-1H-pyridine-3-carbonitrile Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC(=C(C(=O)N2)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC(=C(C(=O)N2)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H16N2O3/c1-12-3-4-13(2)15(7-12)18-9-16(17(10-22)21(24)23-18)14-5-6-19-20(8-14)26-11-25-19/h3-9H,11H2,1-2H3,(H,23,24)