1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-oxopyridine-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-6-(4-dimethylaminophenyl)-4-keto-nicotinic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=O)C(=CN2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=O)C(=CN2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C21H18N2O5/c1-22(2)14-5-3-13(4-6-14)17-10-18(24)16(21(25)26)11-23(17)15-7-8-19-20(9-15)28-12-27-19/h3-11H,12H2,1-2H3,(H,25,26)