4-[2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethanoylamino]benzoic acid bromide

Systemtic Name: 4-[2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]ethanoylamino]benzoic acid bromide Openeye Name: 4-[[2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]amino]benzoic acid bromide CAS Name: 4-[[2-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid bromide IUPAC Name: 4-[[2-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetyl]amino]benzoic acid bromide Traditional Name: 4-[[2-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]acetyl]amino]benzoic acid bromide Formula: C15H14BrN3O4 MolecularWeight: 380.19336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C=NO.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O)/C=N/O.[Br-]

InChI

InChI=1S/C15H13N3O4.BrH/c19-14(10-18-7-1-2-11(9-18)8-16-22)17-13-5-3-12(4-6-13)15(20)21;/h1-9H,10H2,(H2-,17,19,20,21,22);1H/b16-8+;