(3R,4S)-2,2-dimethyl-4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3R,4S)-2,2-dimethyl-4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(1-methyl-6-oxo-pyridazin-3-yl)oxy-chromane-6-carbonitrile CAS Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-[(1-methyl-6-oxo-3-pyridazinyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3R,4S)-3-hydroxy-2,2-dimethyl-4-(1-methyl-6-oxopyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3R,4S)-3-hydroxy-4-(6-keto-1-methyl-pyridazin-3-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C=C3)C)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C=C3)C)O)C

InChI

InChI=1S/C17H17N3O4/c1-17(2)16(22)15(23-13-6-7-14(21)20(3)19-13)11-8-10(9-18)4-5-12(11)24-17/h4-8,15-16,22H,1-3H3/t15-,16+/m0/s1