[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NCC#C)C2=CC=CC=C2

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NCC#C)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O4/c1-3-9-17-14(20)11-23-16(21)15-13(22-2)10-19(18-15)12-7-5-4-6-8-12/h1,4-8,10H,9,11H2,2H3,(H,17,20)