3-(2-bromophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid

Systemtic Name: 3-(2-bromophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-(2-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(2-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-(2-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-(2-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NC(CC(=O)O)C2=CC=CC=C2Br)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC(CC(=O)O)C2=CC=CC=C2Br)\N=O)/NO

InChI

InChI=1S/C17H16BrN3O4/c18-13-9-5-4-8-12(13)14(10-15(22)23)19-17(21-25)16(20-24)11-6-2-1-3-7-11/h1-9,14,19-20,24H,10H2,(H,22,23)/b17-16+