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

Systemtic Name: 3-(4-ethylphenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-(4-ethylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(4-ethylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-(4-ethylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-(4-ethylphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC(=O)O)NC(=C(C2=CC=CC=C2)NO)N=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(CC(=O)O)N/C(=C(/C2=CC=CC=C2)\NO)/N=O

InChI

InChI=1S/C19H21N3O4/c1-2-13-8-10-14(11-9-13)16(12-17(23)24)20-19(22-26)18(21-25)15-6-4-3-5-7-15/h3-11,16,20-21,25H,2,12H2,1H3,(H,23,24)/b19-18+