[6-[[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]pyridazin-3-yl] ethanoate

Systemtic Name: [6-[[6-cyano-2,2-bis(methoxymethyl)-3-oxidanyl-4H-chromen-3-yl]amino]pyridazin-3-yl] ethanoate Openeye Name: [6-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-yl] acetate CAS Name: acetic acid [6-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-yl]amino]-3-pyridazinyl] ester IUPAC Name: [6-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)-4H-chromen-3-yl]amino]pyridazin-3-yl] acetate Traditional Name: acetic acid [6-[[6-cyano-3-hydroxy-2,2-bis(methoxymethyl)chroman-3-yl]amino]pyridazin-3-yl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NN=C(C=C1)NC2(CC3=C(C=CC(=C3)C#N)OC2(COC)COC)O

Isomeric SMILES

CC(=O)OC1=NN=C(C=C1)NC2(CC3=C(C=CC(=C3)C#N)OC2(COC)COC)O

InChI

InChI=1S/C20H22N4O6/c1-13(25)29-18-7-6-17(23-24-18)22-20(26)9-15-8-14(10-21)4-5-16(15)30-19(20,11-27-2)12-28-3/h4-8,26H,9,11-12H2,1-3H3,(H,22,23)