[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H9BrN4O5 MolecularWeight: 381.13836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)NC(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C13H9BrN4O5/c14-9-5-8(18(21)22)1-2-10(9)17-12(19)7-23-13(20)11-6-15-3-4-16-11/h1-6H,7H2,(H,17,19)