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

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H25ClN2O6 MolecularWeight: 484.9288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H25ClN2O6/c26-19-7-6-18(9-20(19)28(32)33)27-22(29)21(17-4-2-1-3-5-17)34-23(30)24-10-15-8-16(11-24)13-25(31,12-15)14-24/h1-7,9,15-16,21,31H,8,10-14H2,(H,27,29)