[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-bromanylbenzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-bromanylbenzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1Br)/N

InChI

InChI=1S/C13H11BrN2O3/c1-8(16)10(6-15)12(17)7-19-13(18)9-4-2-3-5-11(9)14/h2-5H,7,16H2,1H3/b10-8+