(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid (2-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(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3)C)Cl

InChI

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