[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-methylbenzo[g]benzofuran-2-carboxylate CAS Name: 3-methyl-2-benzo[g]benzofurancarboxylic acid [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-methylbenzo[g][1]benzofuran-2-carboxylate Traditional Name: 3-methylbenzo[g]benzofuran-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)OC(C)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)O[C@@H](C)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O6/c1-13-16-12-11-15-7-3-4-8-17(15)21(16)31-20(13)23(27)30-14(2)22(26)24-18-9-5-6-10-19(18)25(28)29/h3-12,14H,1-2H3,(H,24,26)/t14-/m0/s1