[2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-[N'-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H24BrClN2O5 MolecularWeight: 499.78266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C21H24BrClN2O5/c1-29-16-3-2-14(23)5-15(16)18(27)25-24-17(26)10-30-19(28)20-6-12-4-13(7-20)9-21(22,8-12)11-20/h2-3,5,12-13H,4,6-11H2,1H3,(H,24,26)(H,25,27)