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

Systemtic Name: 1-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylate Openeye Name: 1-[(1R)-2-[benzyl(methyl)amino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylate CAS Name: 1-[(2R)-1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl]pyrazole-4-carboxylate Traditional Name: 1-[(1R)-2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylate Formula: C15H16N3O3- MolecularWeight: 286.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)N2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC=CC=C1)N2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C15H17N3O3/c1-11(18-10-13(8-16-18)15(20)21)14(19)17(2)9-12-6-4-3-5-7-12/h3-8,10-11H,9H2,1-2H3,(H,20,21)/p-1/t11-/m1/s1