(E)-azanyl-[(2-methylpropan-2-yl)oxycarbonyl]-[(2-nitro-5-oxidanyl-phenyl)methylidene]azanium

Systemtic Name: (E)-azanyl-[(2-methylpropan-2-yl)oxycarbonyl]-[(2-nitro-5-oxidanyl-phenyl)methylidene]azanium Openeye Name: (E)-amino-tert-butoxycarbonyl-[(5-hydroxy-2-nitro-phenyl)methylene]ammonium CAS Name: (E)-amino-[(5-hydroxy-2-nitrophenyl)methylidene]-[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium IUPAC Name: (E)-amino-[(5-hydroxy-2-nitrophenyl)methylidene]-[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: (E)-amino-tert-butoxycarbonyl-(5-hydroxy-2-nitro-benzylidene)ammonium Formula: C12H16N3O5+ MolecularWeight: 282.27254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+](=CC1=C(C=CC(=C1)O)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)/[N+](=C\C1=C(C=CC(=C1)O)[N+](=O)[O-])/N

InChI

InChI=1S/C12H15N3O5/c1-12(2,3)20-11(17)14(13)7-8-6-9(16)4-5-10(8)15(18)19/h4-7H,13H2,1-3H3/p+1/b14-7+