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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-2-3-9-18-17(24)20-15(22)12-25-16(23)13-5-7-14(8-6-13)21-11-4-10-19-21/h4-8,10-11H,2-3,9,12H2,1H3,(H2,18,20,22,24)