[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C29H22N2O6 MolecularWeight: 494.49478

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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=C(C4=C(O3)C5=CC=CC=C5C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=C(C4=C(O3)C5=CC=CC=C5C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O6/c1-17-12-15-23(24(16-17)31(34)35)30-28(32)26(20-9-4-3-5-10-20)37-29(33)25-18(2)21-14-13-19-8-6-7-11-22(19)27(21)36-25/h3-16,26H,1-2H3,(H,30,32)/t26-/m1/s1