N-(2-methyl-5-nitro-phenyl)-2-pyridin-1-ium-1-yl-ethanamide bromide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-pyridin-1-ium-1-yl-ethanamide bromide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-pyridin-1-ium-1-yl-acetamide bromide CAS Name: N-(2-methyl-5-nitrophenyl)-2-(1-pyridin-1-iumyl)acetamide bromide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide bromide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-pyridin-1-ium-1-yl-acetamide bromide Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H13N3O3.BrH/c1-11-5-6-12(17(19)20)9-13(11)15-14(18)10-16-7-3-2-4-8-16;/h2-9H,10H2,1H3;1H