(1R,6S)-6-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(1-methyl-4-pyrazolyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(1-methylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C13H16N3O3- MolecularWeight: 262.28444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-16-8-9(7-15-16)6-14-12(17)10-4-2-3-5-11(10)13(18)19/h2-3,7-8,10-11H,4-6H2,1H3,(H,14,17)(H,18,19)/p-1/t10-,11+/m0/s1