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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-keto-4-p-phenetyl-1H-pyridine-3-carbonitrile Formula: C21H16N2O4 MolecularWeight: 360.36274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C21H16N2O4/c1-2-25-15-6-3-13(4-7-15)16-10-18(23-21(24)17(16)11-22)14-5-8-19-20(9-14)27-12-26-19/h3-10H,2,12H2,1H3,(H,23,24)