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

Systemtic Name: 4-ethyl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]hexanoic acid Openeye Name: 4-ethyl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]hexanoic acid CAS Name: 4-ethyl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]hexanoic acid IUPAC Name: 4-ethyl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]hexanoic acid Traditional Name: 4-ethyl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]hexanoic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-3-11(4-2)13(10-14(20)21)17-16(19-23)15(18-22)12-8-6-5-7-9-12/h5-9,11,13,17-18,22H,3-4,10H2,1-2H3,(H,20,21)/b16-15+