3-[2-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Systemtic Name: 3-[2-(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Openeye Name: 3-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridyl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid CAS Name: 3-[2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)ethoxy-oxomethyl]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 3-[2-(3-cyano-2-hydroxy-4-methyl-6-oxopyridin-1-yl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Traditional Name: 3-[2-(3-cyano-2-hydroxy-6-keto-4-methyl-1-pyridyl)ethoxycarbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1C#N)O)CCOC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CC1=CC(=O)N(C(=C1C#N)O)CCOC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C18H18N2O6/c1-9-6-13(21)20(16(22)12(9)8-19)4-5-26-18(25)15-11-3-2-10(7-11)14(15)17(23)24/h2-3,6,10-11,14-15,22H,4-5,7H2,1H3,(H,23,24)