methyl 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylate Openeye Name: methyl 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyridine-3-carboxylate CAS Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyridine-3-carboxylate Traditional Name: 2-[(Z)-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]nicotinic acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C(C1=C(C=CC=N1)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C(=O)/C=C(/C1=C(C=CC=N1)C(=O)OC)\O

InChI

InChI=1S/C14H17NO4/c1-14(2,3)11(17)8-10(16)12-9(13(18)19-4)6-5-7-15-12/h5-8,16H,1-4H3/b10-8-