[(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(1R)-2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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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)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O6/c1-16-7-8-20(21(9-16)28(32)33)27-23(29)22(19-5-3-2-4-6-19)34-24(30)25-11-17-10-18(12-25)14-26(31,13-17)15-25/h2-9,17-18,22,31H,10-15H2,1H3,(H,27,29)/t17-,18+,22-,25?,26?/m1/s1