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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H16N4O3/c17-7-4-8-18-15(21)12-23-16(22)9-13-10-19-20(11-13)14-5-2-1-3-6-14/h1-3,5-6,10-11H,4,8-9,12H2,(H,18,21)