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

Systemtic Name: methyl 4-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-pyrazine-2-carboxylate Openeye Name: methyl 4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxo-pyrazine-2-carboxylate CAS Name: 4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxo-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-oxopyrazine-2-carboxylate Traditional Name: 4-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-3-keto-pyrazinic acid methyl ester Formula: C13H7ClF3N3O5 MolecularWeight: 377.65999

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClF3N3O5/c1-25-12(22)9-11(21)19(3-2-18-9)10-7(14)4-6(13(15,16)17)5-8(10)20(23)24/h2-5H,1H3