1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]pyrazole-3-carboxylate Formula: C13H18N3O3- MolecularWeight: 264.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CN2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-9-4-2-3-5-10(9)14-12(17)8-16-7-6-11(15-16)13(18)19/h6-7,9-10H,2-5,8H2,1H3,(H,14,17)(H,18,19)/p-1/t9-,10+/m0/s1