1-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]pyrazole-4-carboxylate

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C14H14N3O3- MolecularWeight: 272.27926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-10(17-9-12(8-16-17)14(19)20)13(18)15-7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,15,18)(H,19,20)/p-1/t10-/m1/s1