5,9-dimethyl-6-nitro-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide

Systemtic Name: 5,9-dimethyl-6-nitro-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Openeye Name: 5,9-dimethyl-6-nitro-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide CAS Name: 5,9-dimethyl-6-nitro-2-(1-pyridin-1-iumylmethyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one bromide IUPAC Name: 5,9-dimethyl-6-nitro-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Traditional Name: 5,9-dimethyl-6-nitro-2-(pyridin-1-ium-1-ylmethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one bromide Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC=C4)C=C12)C)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C3=C(CC(O3)C[N+]4=CC=CC=C4)C=C12)C)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H17N2O5.BrH/c1-11-15-9-13-8-14(10-20-6-4-3-5-7-20)25-17(13)12(2)18(15)26-19(22)16(11)21(23)24;/h3-7,9,14H,8,10H2,1-2H3;1H/q+1;/p-1