1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[(3-methylisoxazol-5-yl)methyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[(3-methyl-5-isoxazolyl)methyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-[(3-methylisoxazol-5-yl)methyl]nicotinic acid Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C=C(C=CC2=O)C(=O)O

Isomeric SMILES

CC1=NOC(=C1)CN2C=C(C=CC2=O)C(=O)O

InChI

InChI=1S/C11H10N2O4/c1-7-4-9(17-12-7)6-13-5-8(11(15)16)2-3-10(13)14/h2-5H,6H2,1H3,(H,15,16)