3-(2,4-dinitrophenoxy)-1-prop-2-enyl-pyridin-1-ium bromide

Systemtic Name: 3-(2,4-dinitrophenoxy)-1-prop-2-enyl-pyridin-1-ium bromide Openeye Name: 1-allyl-3-(2,4-dinitrophenoxy)pyridin-1-ium bromide CAS Name: 3-(2,4-dinitrophenoxy)-1-prop-2-enylpyridin-1-ium bromide IUPAC Name: 3-(2,4-dinitrophenoxy)-1-prop-2-enylpyridin-1-ium bromide Traditional Name: 1-allyl-3-(2,4-dinitrophenoxy)pyridin-1-ium bromide Formula: C14H12BrN3O5 MolecularWeight: 382.16618

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CC=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Br-]

Isomeric SMILES

C=CC[N+]1=CC=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Br-]

InChI

InChI=1S/C14H12N3O5.BrH/c1-2-7-15-8-3-4-12(10-15)22-14-6-5-11(16(18)19)9-13(14)17(20)21;/h2-6,8-10H,1,7H2;1H/q+1;/p-1