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

Systemtic Name: 3-(3-nitrophenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(3-nitrophenyl)propanoic acid CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(3-nitrophenyl)propanoic acid IUPAC Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(3-nitrophenyl)propanoic acid Traditional Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(3-nitrophenyl)propionic acid Formula: C17H16N4O6 MolecularWeight: 372.33214

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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)[N+](=O)[O-])N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NC(CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])\N=O)/NO

InChI

InChI=1S/C17H16N4O6/c22-15(23)10-14(12-7-4-8-13(9-12)21(26)27)18-17(20-25)16(19-24)11-5-2-1-3-6-11/h1-9,14,18-19,24H,10H2,(H,22,23)/b17-16+