4-[3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]propyl]-1,4-dihydropyrazol-5-one Openeye Name: 4-[3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propyl]-1,4-dihydropyrazol-5-one CAS Name: 4-[3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propyl]-1,4-dihydropyrazol-5-one IUPAC Name: 4-[3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]propyl]-1,4-dihydropyrazol-5-one Traditional Name: 4-[3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]propyl]-2-pyrazolin-3-one Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NCCCC2C=NNC2=O)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NCCCC2C=NNC2=O)\N=O)/NO

InChI

InChI=1S/C14H17N5O3/c20-14-11(9-16-17-14)7-4-8-15-13(19-22)12(18-21)10-5-2-1-3-6-10/h1-3,5-6,9,11,15,18,21H,4,7-8H2,(H,17,20)/b13-12+