3-(4-oxidanylhepta-1,6-dien-4-yl)pyrazine-2-carboxylic acid

Systemtic Name: 3-(4-oxidanylhepta-1,6-dien-4-yl)pyrazine-2-carboxylic acid Openeye Name: 3-(1-allyl-1-hydroxy-but-3-enyl)pyrazine-2-carboxylic acid CAS Name: 3-(4-hydroxyhepta-1,6-dien-4-yl)-2-pyrazinecarboxylic acid IUPAC Name: 3-(4-hydroxyhepta-1,6-dien-4-yl)pyrazine-2-carboxylic acid Traditional Name: 3-(1-allyl-1-hydroxy-but-3-enyl)pyrazinoic acid Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-3-5-12(17,6-4-2)10-9(11(15)16)13-7-8-14-10/h3-4,7-8,17H,1-2,5-6H2,(H,15,16)