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

Systemtic Name: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[N'-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H25ClN2O5 MolecularWeight: 420.8866

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5/c1-28-17-3-2-15(22)7-16(17)19(26)24-23-18(25)11-29-20(27)21-8-12-4-13(9-21)6-14(5-12)10-21/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,23,25)(H,24,26)