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

Systemtic Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=C(C2=CC=CC=C2)NO)N=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)N/C(=C(/C2=CC=CC=C2)\NO)/N=O)OC

InChI

InChI=1S/C20H23N3O6/c1-3-29-16-10-9-14(11-17(16)28-2)15(12-18(24)25)21-20(23-27)19(22-26)13-7-5-4-6-8-13/h4-11,15,21-22,26H,3,12H2,1-2H3,(H,24,25)/b20-19+