[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O5/c1-15-9-11-21(23(13-15)30(33)34)29-25(31)24(18-7-5-4-6-8-18)35-26(32)19-10-12-20-22(14-19)28-17(3)16(2)27-20/h4-14,24H,1-3H3,(H,29,31)/t24-/m1/s1