3-(4-chloranyl-3,5-dimethyl-phenoxy)carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)carbonylpyrazine-2-carboxylic acid Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)carbonylpyrazine-2-carboxylic acid CAS Name: 3-[(4-chloro-3,5-dimethylphenoxy)-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)carbonylpyrazine-2-carboxylic acid Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)carbonylpyrazinoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C14H11ClN2O4/c1-7-5-9(6-8(2)10(7)15)21-14(20)12-11(13(18)19)16-3-4-17-12/h3-6H,1-2H3,(H,18,19)