4-[(E)-1-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-but-1-enyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[(E)-1-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-but-1-enyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-[(E)-3-(tert-butoxycarbonylamino)-1-cyano-2-hydroxy-4-phenyl-but-1-enyl]-N-hydroxy-benzeneamine oxide CAS Name: 4-[(E)-1-cyano-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbut-1-enyl]-N-hydroxybenzeneamine oxide IUPAC Name: 4-[(E)-1-cyano-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-1-enyl]-N-hydroxybenzeneamine oxide Traditional Name: 4-[(E)-3-(tert-butoxycarbonylamino)-1-cyano-2-hydroxy-4-phenyl-but-1-enyl]-N-hydroxy-benzeneamine oxide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=C(C#N)C2=CC=C(C=C2)[NH+](O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)/C(=C(\C#N)/C2=CC=C(C=C2)[NH+](O)[O-])/O

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)30-21(27)24-19(13-15-7-5-4-6-8-15)20(26)18(14-23)16-9-11-17(12-10-16)25(28)29/h4-12,19,25-26,28H,13H2,1-3H3,(H,24,27)/b20-18-