[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC=C)C

InChI

InChI=1S/C18H20N4O4/c1-4-9-19-18(25)20-16(23)11-26-17(24)14-5-7-15(8-6-14)22-13(3)10-12(2)21-22/h4-8,10H,1,9,11H2,2-3H3,(H2,19,20,23,25)