butyl 4-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]benzoate CAS Name: 4-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]benzoic acid butyl ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C

InChI

InChI=1S/C16H18BrN3O3/c1-3-4-9-23-16(22)11-5-7-12(8-6-11)18-15(21)14-13(17)10-20(2)19-14/h5-8,10H,3-4,9H2,1-2H3,(H,18,21)