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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: (2-amino-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-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-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-amino-2-keto-1-methyl-ethyl) ester Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)N)C)Cl

InChI

InChI=1S/C15H16ClN3O3/c1-8-13(16)9(2)19(18-8)12-6-4-11(5-7-12)15(21)22-10(3)14(17)20/h4-7,10H,1-3H3,(H2,17,20)