[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C13H10BrN3O3 MolecularWeight: 336.1408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC(=O)C2=NC=CN=C2)Br

InChI

InChI=1S/C13H10BrN3O3/c14-9-1-3-10(4-2-9)17-12(18)8-20-13(19)11-7-15-5-6-16-11/h1-7H,8H2,(H,17,18)