4-(3-bromanyl-5-nitro-2-oxidanylidene-pyridin-1-yl)-2,2,3-trimethyl-3-oxidanyl-4H-chromene-6-carbonitrile

Systemtic Name: 4-(3-bromanyl-5-nitro-2-oxidanylidene-pyridin-1-yl)-2,2,3-trimethyl-3-oxidanyl-4H-chromene-6-carbonitrile Openeye Name: 4-(3-bromo-5-nitro-2-oxo-1-pyridyl)-3-hydroxy-2,2,3-trimethyl-chromane-6-carbonitrile CAS Name: 4-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-3-hydroxy-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-bromo-5-nitro-2-oxopyridin-1-yl)-3-hydroxy-2,2,3-trimethyl-4H-chromene-6-carbonitrile Traditional Name: 4-(3-bromo-2-keto-5-nitro-1-pyridyl)-3-hydroxy-2,2,3-trimethyl-chroman-6-carbonitrile Formula: C18H16BrN3O5 MolecularWeight: 434.24074

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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-])(C)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-])(C)O)C

InChI

InChI=1S/C18H16BrN3O5/c1-17(2)18(3,24)15(12-6-10(8-20)4-5-14(12)27-17)21-9-11(22(25)26)7-13(19)16(21)23/h4-7,9,15,24H,1-3H3