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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-oxopyridine-3-carboxylic acid Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-cyclopropyl-4-keto-nicotinic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C=C2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C=C2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C16H13NO5/c18-13-6-12(9-1-4-14-15(5-9)22-8-21-14)17(10-2-3-10)7-11(13)16(19)20/h1,4-7,10H,2-3,8H2,(H,19,20)