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

Systemtic Name: ethyl 2-[3-(phenylazanylcarbamoyl)pyridin-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 2-[3-(anilinocarbamoyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[oxo-(phenylhydrazo)methyl]-1-pyridin-1-iumyl]acetic acid ethyl ester bromide IUPAC Name: ethyl 2-[3-(anilinocarbamoyl)pyridin-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-(anilinocarbamoyl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NNC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C(=O)NNC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H17N3O3.BrH/c1-2-22-15(20)12-19-10-6-7-13(11-19)16(21)18-17-14-8-4-3-5-9-14;/h3-11,17H,2,12H2,1H3;1H