3-cyclohex-3-en-1-yl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid

Systemtic Name: 3-cyclohex-3-en-1-yl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propanoic acid Openeye Name: 3-cyclohex-3-en-1-yl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propanoic acid CAS Name: 3-(1-cyclohex-3-enyl)-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid IUPAC Name: 3-cyclohex-3-en-1-yl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propanoic acid Traditional Name: 3-cyclohex-3-en-1-yl-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propionic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(CC(=O)O)NC(=C(C2=CC=CC=C2)NO)N=O

Isomeric SMILES

C1CC(CC=C1)C(CC(=O)O)N/C(=C(/C2=CC=CC=C2)\NO)/N=O

InChI

InChI=1S/C17H21N3O4/c21-15(22)11-14(12-7-3-1-4-8-12)18-17(20-24)16(19-23)13-9-5-2-6-10-13/h1-3,5-6,9-10,12,14,18-19,23H,4,7-8,11H2,(H,21,22)/b17-16+