[1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] pyrazine-2-carboxylate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-phenyl-ethyl] pyrazine-2-carboxylate Openeye Name: [1-(4-nitrophenyl)-2-oxo-2-phenyl-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-oxo-2-phenylethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-1-(4-nitrophenyl)-2-phenyl-ethyl] ester Formula: C19H13N3O5 MolecularWeight: 363.32362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C19H13N3O5/c23-17(13-4-2-1-3-5-13)18(14-6-8-15(9-7-14)22(25)26)27-19(24)16-12-20-10-11-21-16/h1-12,18H