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

Systemtic Name: 3-(4-methoxycarbonylphenyl)-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-(4-methoxycarbonylphenyl)propanoic acid CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: 3-(4-carbomethoxyphenyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-28-19(25)14-9-7-12(8-10-14)15(11-16(23)24)20-18(22-27)17(21-26)13-5-3-2-4-6-13/h2-10,15,20-21,26H,11H2,1H3,(H,23,24)/b18-17+