3-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyrazine-2-carboxylic acid CAS Name: 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(Z)-1-hydroxy-3-keto-4,4-dimethyl-pent-1-enyl]pyrazinoic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=C(C1=NC=CN=C1C(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)/C=C(/C1=NC=CN=C1C(=O)O)\O

InChI

InChI=1S/C12H14N2O4/c1-12(2,3)8(16)6-7(15)9-10(11(17)18)14-5-4-13-9/h4-6,15H,1-3H3,(H,17,18)/b7-6-