[2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-[2-(4-chlorobenzoyl)hydrazino]-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-[[(4-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-[N'-(4-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C20H22BrClN2O4 MolecularWeight: 469.75668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)NNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22BrClN2O4/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)18(27)28-10-16(25)23-24-17(26)14-1-3-15(22)4-2-14/h1-4,12-13H,5-11H2,(H,23,25)(H,24,26)/t12-,13+,19?,20?