5-bromanyl-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 5-bromanyl-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]pyridine-3-carboxylic acid Openeye Name: 5-bromo-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]pyridine-3-carboxylic acid CAS Name: 5-bromo-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-bromo-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]pyridine-3-carboxylic acid Traditional Name: 5-bromo-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]nicotinic acid Formula: C14H11BrN4O4 MolecularWeight: 379.16554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC2=NC=C(C=C2C(=O)O)Br)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC2=NC=C(C=C2C(=O)O)Br)\N=O)/NO

InChI

InChI=1S/C14H11BrN4O4/c15-9-6-10(14(20)21)12(16-7-9)17-13(19-23)11(18-22)8-4-2-1-3-5-8/h1-7,18,22H,(H,16,17)(H,20,21)/b13-11+