3-(4-tert-butylphenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-(4-tert-butylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(4-tert-butylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-(4-tert-butylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)16-11-9-14(10-12-16)17(13-18(25)26)22-20(24-28)19(23-27)15-7-5-4-6-8-15/h4-12,17,22-23,27H,13H2,1-3H3,(H,25,26)/b20-19+