[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=CN=C1)Br)/N

InChI

InChI=1S/C12H10BrN3O3/c1-7(15)10(3-14)11(17)6-19-12(18)8-2-9(13)5-16-4-8/h2,4-5H,6,15H2,1H3/b10-7+