4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol bromide

Systemtic Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol bromide Openeye Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol bromide CAS Name: 4-nitro-2-(1-pyridin-1-iumylmethyl)phenol bromide IUPAC Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol bromide Traditional Name: 4-nitro-2-(pyridin-1-ium-1-ylmethyl)phenol bromide Formula: C12H11BrN2O3 MolecularWeight: 311.13134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C12H10N2O3.BrH/c15-12-5-4-11(14(16)17)8-10(12)9-13-6-2-1-3-7-13;/h1-8H,9H2;1H