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

Systemtic Name: 4-(3-bromanyl-5-nitro-2-oxidanylidene-pyridin-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(3-bromo-5-nitro-2-oxo-1-pyridyl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-bromo-5-nitro-2-oxopyridin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(3-bromo-2-keto-5-nitro-1-pyridyl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C17H14BrN3O5 MolecularWeight: 420.21416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=C(C3=O)Br)[N+](=O)[O-])O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=C(C3=O)Br)[N+](=O)[O-])O)C

InChI

InChI=1S/C17H14BrN3O5/c1-17(2)15(22)14(11-5-9(7-19)3-4-13(11)26-17)20-8-10(21(24)25)6-12(18)16(20)23/h3-6,8,14-15,22H,1-2H3