methyl 6-bromanyl-4-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-pyrazine-2-carboxylate

Systemtic Name: methyl 6-bromanyl-4-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-pyrazine-2-carboxylate Openeye Name: methyl 6-bromo-4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxo-pyrazine-2-carboxylate CAS Name: 6-bromo-4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxo-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxopyrazine-2-carboxylate Traditional Name: 6-bromo-4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-keto-pyrazinic acid methyl ester Formula: C13H6BrClF3N3O5 MolecularWeight: 456.55605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=CN(C1=O)C2=C(C=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)C1=NC(=CN(C1=O)C2=C(C=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C13H6BrClF3N3O5/c1-26-12(23)9-11(22)20(4-8(14)19-9)10-6(15)2-5(13(16,17)18)3-7(10)21(24)25/h2-4H,1H3