ethyl 1-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 1-[(3S)-6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl]-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-6-oxo-pyridazine-3-carboxylate CAS Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-6-oxopyridazine-3-carboxylate Traditional Name: 1-[(3S)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1)C2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C19H19N3O5/c1-4-26-18(25)13-6-8-15(23)22(21-13)16-12-9-11(10-20)5-7-14(12)27-19(2,3)17(16)24/h5-9,16-17,24H,4H2,1-3H3/t16?,17-/m0/s1