ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]ethanoate bromide

Systemtic Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[4-(3-nitrophenyl)-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[4-(3-nitrophenyl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N2O4.BrH/c1-2-21-15(18)11-16-8-6-12(7-9-16)13-4-3-5-14(10-13)17(19)20;/h3-10H,2,11H2,1H3;1H/q+1;/p-1