(4-nitrophenyl)methyl pyrazine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl pyrazine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (4-nitrobenzyl) ester Formula: C12H9N3O4 MolecularWeight: 259.21756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=NC=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4/c16-12(11-7-13-5-6-14-11)19-8-9-1-3-10(4-2-9)15(17)18/h1-7H,8H2