(3S,4R)-2,2-dimethyl-4-(5-nitro-2-oxidanylidene-pyridin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-4-(5-nitro-2-oxidanylidene-pyridin-1-yl)-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(5-nitro-2-oxo-1-pyridyl)chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(5-nitro-2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(5-nitro-2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(2-keto-5-nitro-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)[N+](=O)[O-])O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H15N3O5/c1-17(2)16(22)15(12-7-10(8-18)3-5-13(12)25-17)19-9-11(20(23)24)4-6-14(19)21/h3-7,9,15-16,22H,1-2H3/t15-,16+/m1/s1