(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-acetamido-3-methyl-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-acetamido-3-methyl-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-8-7-11-17(19(13)23-15(3)26)21(27)28-12-18-14(2)24-25(20(18)22)16-9-5-4-6-10-16/h4-11H,12H2,1-3H3,(H,23,26)