[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C16H17N3O3/c1-3-9-17-15(20)12(2)22-16(21)13-5-7-14(8-6-13)19-11-4-10-18-19/h3-8,10-12H,1,9H2,2H3,(H,17,20)/t12-/m1/s1