[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromanylbenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H18BrN3O3/c1-10(2)20-14(7-8-18-20)19-15(21)11(3)23-16(22)12-5-4-6-13(17)9-12/h4-11H,1-3H3,(H,19,21)