[2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C13H9BrN2O3 MolecularWeight: 321.12616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C13H9BrN2O3/c14-10-3-1-2-9(6-10)12(17)8-19-13(18)11-7-15-4-5-16-11/h1-7H,8H2