[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC(=C(C=C4)C#N)Cl

InChI

InChI=1S/C20H21ClN2O3/c21-17-8-16(2-1-13(17)9-22)23-18(24)10-26-20(25)19-14-4-11-3-12(6-14)7-15(19)5-11/h1-2,8,11-12,14-15,19H,3-7,10H2,(H,23,24)