(1S,6S)-6-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(1H-1,2,4-triazol-5-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C10H11N4O3- MolecularWeight: 235.21934

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC=NN2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H12N4O3/c15-8(13-10-11-5-12-14-10)6-3-1-2-4-7(6)9(16)17/h1-2,5-7H,3-4H2,(H,16,17)(H2,11,12,13,14,15)/p-1/t6-,7-/m0/s1