[2,2,2-tris(chloranyl)-1-(cyclohexylcarbamoylamino)ethyl] 4-bromanylbenzoate

Systemtic Name: [2,2,2-tris(chloranyl)-1-(cyclohexylcarbamoylamino)ethyl] 4-bromanylbenzoate Openeye Name: [2,2,2-trichloro-1-(cyclohexylcarbamoylamino)ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2,2,2-trichloro-1-[[(cyclohexylamino)-oxomethyl]amino]ethyl] ester IUPAC Name: [2,2,2-trichloro-1-(cyclohexylcarbamoylamino)ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2,2,2-trichloro-1-(cyclohexylcarbamoylamino)ethyl] ester Formula: C16H18BrCl3N2O3 MolecularWeight: 472.58872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(C(Cl)(Cl)Cl)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(C(Cl)(Cl)Cl)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrCl3N2O3/c17-11-8-6-10(7-9-11)13(23)25-14(16(18,19)20)22-15(24)21-12-4-2-1-3-5-12/h6-9,12,14H,1-5H2,(H2,21,22,24)