tert-butyl 4-bromanyl-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-bromanyl-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxidanylidene-pentan-2-yl]-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]pyrazole-1-carboxylate Openeye Name: tert-butyl 4-bromo-3-[[1-[(4-methoxyphenyl)methoxycarbonyl]-3-methyl-butyl]-(2,2,2-trichloroethoxycarbonyl)amino]pyrazole-1-carboxylate CAS Name: 4-bromo-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxopentan-2-yl]-[oxo(2,2,2-trichloroethoxy)methyl]amino]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-[[1-[(4-methoxyphenyl)methoxy]-4-methyl-1-oxopentan-2-yl]-(2,2,2-trichloroethoxycarbonyl)amino]pyrazole-1-carboxylate Traditional Name: 4-bromo-3-[(3-methyl-1-p-anisyloxycarbonyl-butyl)-(2,2,2-trichloroethoxycarbonyl)amino]pyrazole-1-carboxylic acid tert-butyl ester Formula: C25H31BrCl3N3O7 MolecularWeight: 671.79254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)N(C2=NN(C=C2Br)C(=O)OC(C)(C)C)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=C(C=C1)OC)N(C2=NN(C=C2Br)C(=O)OC(C)(C)C)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C25H31BrCl3N3O7/c1-15(2)11-19(21(33)37-13-16-7-9-17(36-6)10-8-16)32(23(35)38-14-25(27,28)29)20-18(26)12-31(30-20)22(34)39-24(3,4)5/h7-10,12,15,19H,11,13-14H2,1-6H3