(1-cyanoindolizin-2-yl)methyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 6-chloranylpyridine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C16H10ClN3O2 MolecularWeight: 311.7225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CN=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CN=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H10ClN3O2/c17-15-5-4-11(8-19-15)16(21)22-10-12-9-20-6-2-1-3-14(20)13(12)7-18/h1-6,8-9H,10H2