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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O5/c1-9-2-3-10(6-12(9)17(20)21)13(18)8-22-14(19)11-7-15-4-5-16-11/h2-7H,8H2,1H3