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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-azanyl-5-bromanyl-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-amino-5-bromo-benzoate CAS Name: 2-amino-5-bromobenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-amino-5-bromobenzoate Traditional Name: 2-amino-5-bromo-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3O3/c1-7(16)10(5-15)12(18)6-20-13(19)9-4-8(14)2-3-11(9)17/h2-4H,6,16-17H2,1H3/b10-7+