(4Z)-6-bromanyl-4-[[(2-methylpropan-2-yl)oxyamino]-(1-oxidanidyl-3-oxidanyl-pyridin-1-ium-2-yl)methylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: (4Z)-6-bromanyl-4-[[(2-methylpropan-2-yl)oxyamino]-(1-oxidanidyl-3-oxidanyl-pyridin-1-ium-2-yl)methylidene]-3-oxidanylidene-cyclohexa-1,5-diene-1-carbonitrile Openeye Name: (4Z)-6-bromo-4-[(tert-butoxyamino)-(3-hydroxy-1-oxido-pyridin-1-ium-2-yl)methylene]-3-oxo-cyclohexa-1,5-diene-1-carbonitrile CAS Name: (4Z)-6-bromo-4-[(3-hydroxy-1-oxido-2-pyridin-1-iumyl)-[(2-methylpropan-2-yl)oxyamino]methylidene]-3-oxo-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: (4Z)-6-bromo-4-[(3-hydroxy-1-oxidopyridin-1-ium-2-yl)-[(2-methylpropan-2-yl)oxyamino]methylidene]-3-oxocyclohexa-1,5-diene-1-carbonitrile Traditional Name: (4Z)-6-bromo-4-[(tert-butoxyamino)-(3-hydroxy-1-oxido-pyridin-1-ium-2-yl)methylene]-3-keto-cyclohexa-1,5-diene-1-carbonitrile Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC(=C1C=C(C(=CC1=O)C#N)Br)C2=C(C=CC=[N+]2[O-])O

Isomeric SMILES

CC(C)(C)ON/C(=C\1/C=C(C(=CC1=O)C#N)Br)/C2=C(C=CC=[N+]2[O-])O

InChI

InChI=1S/C17H16BrN3O4/c1-17(2,3)25-20-15(16-13(22)5-4-6-21(16)24)11-8-12(18)10(9-19)7-14(11)23/h4-8,20,22H,1-3H3/b15-11-