ethyl 1-(6-cyano-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(6-cyano-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-chroman-4-yl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-6-oxopyridazine-3-carboxylate Traditional Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-chroman-4-yl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1)C2C3=C(C=CC(=C3)C#N)OC(C2(C)O)(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1)C2C3=C(C=CC(=C3)C#N)OC(C2(C)O)(C)C

InChI

InChI=1S/C20H21N3O5/c1-5-27-18(25)14-7-9-16(24)23(22-14)17-13-10-12(11-21)6-8-15(13)28-19(2,3)20(17,4)26/h6-10,17,26H,5H2,1-4H3