4-(2,3-dinitrophenyl)-2-(3-iodanylphenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(2,3-dinitrophenyl)-2-(3-iodanylphenyl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(2,3-dinitrophenyl)-2-(3-iodophenyl)-3-oxo-butanenitrile CAS Name: 4-(2,3-dinitrophenyl)-2-(3-iodophenyl)-3-oxobutanenitrile IUPAC Name: 4-(2,3-dinitrophenyl)-2-(3-iodophenyl)-3-oxobutanenitrile Traditional Name: 4-(2,3-dinitrophenyl)-2-(3-iodophenyl)-3-keto-butyronitrile Formula: C16H10IN3O5 MolecularWeight: 451.17217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(C#N)C(=O)CC2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)C(C#N)C(=O)CC2=C(C(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10IN3O5/c17-12-5-1-3-10(7-12)13(9-18)15(21)8-11-4-2-6-14(19(22)23)16(11)20(24)25/h1-7,13H,8H2