(1-cyanoindolizin-2-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C16H10BrN3O2 MolecularWeight: 356.1735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O2/c17-13-5-11(7-19-8-13)16(21)22-10-12-9-20-4-2-1-3-15(20)14(12)6-18/h1-5,7-9H,10H2