[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(cyclopropylamino)-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 [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3)C)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-10-16(18)11(2)21(20-10)14-7-3-12(4-8-14)17(23)24-9-15(22)19-13-5-6-13/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,19,22)