[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H10BrClN2O3 MolecularWeight: 357.5871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrClN2O3/c1-7(17)10(5-16)12(18)6-20-13(19)9-4-8(14)2-3-11(9)15/h2-4H,6,17H2,1H3/b10-7+