[4-(3-iodanylprop-2-ynoxy)phenyl]-oxidanidyl-(3-oxidanylidenebutan-2-ylimino)azanium

Systemtic Name: [4-(3-iodanylprop-2-ynoxy)phenyl]-oxidanidyl-(3-oxidanylidenebutan-2-ylimino)azanium Openeye Name: [4-(3-iodoprop-2-ynoxy)phenyl]-(1-methyl-2-oxo-propyl)imino-oxido-ammonium CAS Name: [4-(3-iodoprop-2-ynoxy)phenyl]-oxido-(3-oxobutan-2-ylimino)ammonium IUPAC Name: [4-(3-iodoprop-2-ynoxy)phenyl]-oxido-(3-oxobutan-2-ylimino)azanium Traditional Name: [4-(3-iodoprop-2-ynoxy)phenyl]-(2-keto-1-methyl-propyl)imino-oxido-ammonium Formula: C13H13IN2O3 MolecularWeight: 372.15839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N=[N+](C1=CC=C(C=C1)OCC#CI)[O-]

Isomeric SMILES

CC(C(=O)C)N=[N+](C1=CC=C(C=C1)OCC#CI)[O-]

InChI

InChI=1S/C13H13IN2O3/c1-10(11(2)17)15-16(18)12-4-6-13(7-5-12)19-9-3-8-14/h4-7,10H,9H2,1-2H3