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

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H26N2O7/c1-12(18(24)22-16-4-3-15(29-2)6-17(16)23(27)28)30-19(25)20-7-13-5-14(8-20)10-21(26,9-13)11-20/h3-4,6,12-14,26H,5,7-11H2,1-2H3,(H,22,24)/t12-,13-,14+,20?,21?/m1/s1