[(3S,4R)-6-cyano-2,2-dimethyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]chroman-3-yl] acetate CAS Name: acetic acid [(3S,4R)-6-cyano-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(3S,4R)-6-cyano-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [(3S,4R)-6-cyano-4-[(6-keto-1H-pyridazin-3-yl)oxy]-2,2-dimethyl-chroman-3-yl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)OC3=NNC(=O)C=C3

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](C2=C(C=CC(=C2)C#N)OC1(C)C)OC3=NNC(=O)C=C3

InChI

InChI=1S/C18H17N3O5/c1-10(22)24-17-16(25-15-7-6-14(23)20-21-15)12-8-11(9-19)4-5-13(12)26-18(17,2)3/h4-8,16-17H,1-3H3,(H,20,23)/t16-,17+/m1/s1