[(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(1R)-2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [(1R)-2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(1R)-2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H15ClN4O5 MolecularWeight: 426.8099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN4O5/c1-12-10-23-16(11-22-12)20(27)30-18(13-5-3-2-4-6-13)19(26)24-14-7-8-15(21)17(9-14)25(28)29/h2-11,18H,1H3,(H,24,26)/t18-/m1/s1