[(3aR,4R,5S,7aR)-5-oxidanyl-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] ethanoate

Systemtic Name: [(3aR,4R,5S,7aR)-5-oxidanyl-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] ethanoate Openeye Name: [(3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] acetate CAS Name: acetic acid [(3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] ester IUPAC Name: [(3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] acetate Traditional Name: acetic acid [(3aR,4R,5S,7aR)-5-hydroxy-3a,4,5,7a-tetrahydro-3H-indazol-4-yl] ester Formula: C9H12N2O3 MolecularWeight: 196.20318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CN=NC2C=CC1O

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]2CN=N[C@@H]2C=C[C@@H]1O

InChI

InChI=1S/C9H12N2O3/c1-5(12)14-9-6-4-10-11-7(6)2-3-8(9)13/h2-3,6-9,13H,4H2,1H3/t6-,7-,8+,9-/m1/s1