[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H22BrNO3/c20-15-2-1-3-16(9-15)21-17(22)10-24-19(23)18-13-5-11-4-12(7-13)8-14(18)6-11/h1-3,9,11-14,18H,4-8,10H2,(H,21,22)