1-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-3-carboxylate Formula: C15H20N3O3- MolecularWeight: 290.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-11(18-10-8-13(17-18)15(20)21)14(19)16-9-7-12-5-3-2-4-6-12/h5,8,10-11H,2-4,6-7,9H2,1H3,(H,16,19)(H,20,21)/p-1/t11-/m1/s1