[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C16H19N3O3/c1-3-12(2)18-15(20)11-22-16(21)13-5-7-14(8-6-13)19-10-4-9-17-19/h4-10,12H,3,11H2,1-2H3,(H,18,20)