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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

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