[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C34H36N2O5 MolecularWeight: 552.66004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC(=C(C=C6)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)C6=CC(=C(C=C6)C)C)[N+](=O)[O-]

InChI

InChI=1S/C34H36N2O5/c1-21-9-12-28(29(13-21)36(39)40)35-31(37)30(26-7-5-4-6-8-26)41-32(38)34-18-24-15-25(19-34)17-33(16-24,20-34)27-11-10-22(2)23(3)14-27/h4-14,24-25,30H,15-20H2,1-3H3,(H,35,37)