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

Systemtic Name: [2-[2-(5-chloranyl-2-methoxy-phenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-(5-chloro-2-methoxy-benzoyl)hydrazino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[(5-chloro-2-methoxyphenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-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)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

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