(E)-3-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-iodo-5-nitro-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-iodo-5-nitrophenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-iodo-5-nitrophenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-iodo-5-nitro-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C16H8IN3O6 MolecularWeight: 465.15569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H8IN3O6/c17-13-5-9(6-14(16(13)22)20(25)26)4-11(8-18)15(21)10-2-1-3-12(7-10)19(23)24/h1-7,22H/b11-4+