1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C15H14BrN3O4 MolecularWeight: 380.19336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4.BrH/c1-10-4-5-11(7-13(10)18(21)22)14(19)9-17-6-2-3-12(8-17)15(16)20;/h2-8H,9H2,1H3,(H-,16,20);1H