[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-18(2,3)21-17(25)20-15(23)12-26-16(24)9-13-10-19-22(11-13)14-7-5-4-6-8-14/h4-8,10-11H,9,12H2,1-3H3,(H2,20,21,23,25)