[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H20ClN3O3/c1-14-4-9-18(22)12-19(14)24-20(26)15(2)28-21(27)17-7-5-16(6-8-17)13-25-11-3-10-23-25/h3-12,15H,13H2,1-2H3,(H,24,26)