heptan-2-yl 5-chloranylpyrazine-2-carboxylate

Systemtic Name: heptan-2-yl 5-chloranylpyrazine-2-carboxylate Openeye Name: 1-methylhexyl 5-chloropyrazine-2-carboxylate CAS Name: 5-chloro-2-pyrazinecarboxylic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 5-chloropyrazine-2-carboxylate Traditional Name: 5-chloropyrazinic acid 1-methylhexyl ester Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=CN=C(C=N1)Cl

Isomeric SMILES

CCCCCC(C)OC(=O)C1=CN=C(C=N1)Cl

InChI

InChI=1S/C12H17ClN2O2/c1-3-4-5-6-9(2)17-12(16)10-7-15-11(13)8-14-10/h7-9H,3-6H2,1-2H3