[(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate

Systemtic Name: [(1R)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate Openeye Name: [(1R)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1R)-2-(2-chloro-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C19H13ClN4O5 MolecularWeight: 412.78332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C19H13ClN4O5/c20-14-10-13(24(27)28)6-7-15(14)23-18(25)17(12-4-2-1-3-5-12)29-19(26)16-11-21-8-9-22-16/h1-11,17H,(H,23,25)/t17-/m1/s1