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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-(3,4-dimethoxyphenyl)-2-keto-1H-pyridine-3-carbonitrile Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H16N2O5/c1-25-17-5-4-13(8-19(17)26-2)16-9-14(15(10-22)21(24)23-16)12-3-6-18-20(7-12)28-11-27-18/h3-9H,11H2,1-2H3,(H,23,24)