[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-9(2)13(14(21)18-16(17)23)24-15(22)12-8-11(19-20-12)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,19,20)(H3,17,18,21,23)/t13-/m0/s1