(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(2-methylphenyl)carbamate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(2-methylphenyl)carbamate Openeye Name: (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl N-(o-tolyl)carbamate CAS Name: N-(2-methylphenyl)carbamic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N-(2-methylphenyl)carbamate Traditional Name: N-(o-tolyl)carbamic acid (4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl ester Formula: C19H18BrN3O3 MolecularWeight: 416.26852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O3/c1-13-8-6-7-11-15(13)21-19(25)26-12-16-17(20)18(24)23(22(16)2)14-9-4-3-5-10-14/h3-11H,12H2,1-2H3,(H,21,25)