4-(3,6-dimethylpyrazin-2-yl)benzoate

Systemtic Name: 4-(3,6-dimethylpyrazin-2-yl)benzoate Openeye Name: 4-(3,6-dimethylpyrazin-2-yl)benzoate CAS Name: 4-(3,6-dimethyl-2-pyrazinyl)benzoate IUPAC Name: 4-(3,6-dimethylpyrazin-2-yl)benzoate Traditional Name: 4-(3,6-dimethylpyrazin-2-yl)benzoate Formula: C13H11N2O2- MolecularWeight: 227.23864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C13H12N2O2/c1-8-7-14-9(2)12(15-8)10-3-5-11(6-4-10)13(16)17/h3-7H,1-2H3,(H,16,17)/p-1