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

Systemtic Name: 3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-3-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-(4-isopropylphenyl)propanoic acid CAS Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-3-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-3-p-cumenyl-propionic acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-13(2)14-8-10-15(11-9-14)17(12-18(24)25)21-20(23-27)19(22-26)16-6-4-3-5-7-16/h3-11,13,17,21-22,26H,12H2,1-2H3,(H,24,25)/b20-19+