(1S,6S)-4-chloranyl-6-(1H-pyrazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-4-chloranyl-6-(1H-pyrazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-chloro-6-(1H-pyrazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[oxo-(1H-pyrazol-5-ylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-chloro-6-(1H-pyrazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-chloro-6-(1H-pyrazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C11H11ClN3O3- MolecularWeight: 268.67634

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NC2=CC=NN2)Cl

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C(=O)[O-])C(=O)NC2=CC=NN2)Cl

InChI

InChI=1S/C11H12ClN3O3/c12-6-1-2-7(11(17)18)8(5-6)10(16)14-9-3-4-13-15-9/h1,3-4,7-8H,2,5H2,(H,17,18)(H2,13,14,15,16)/p-1/t7-,8-/m0/s1