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

Systemtic Name: 3-(3-bromophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-(3-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(3-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-(3-bromophenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-(3-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=C2)Br)N=O)NO

Isomeric SMILES

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

InChI

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