[2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 2-bromanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 2-bromanylbenzoate Openeye Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-keto-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] ester Formula: C27H24BrN3O3 MolecularWeight: 518.40176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3Br)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3Br)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H24BrN3O3/c1-17-13-19(3)22(14-18(17)2)24-15-25(31(30-24)20-9-5-4-6-10-20)29-26(32)16-34-27(33)21-11-7-8-12-23(21)28/h4-15H,16H2,1-3H3,(H,29,32)