[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C13H8ClN3O5 MolecularWeight: 321.67272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H8ClN3O5/c14-9-2-1-8(5-11(9)17(20)21)12(18)7-22-13(19)10-6-15-3-4-16-10/h1-6H,7H2