[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3/c1-3-16-14(19)10(2)21-15(20)13-9-12(17-18-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,19)(H,17,18)/t10-/m0/s1