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

Systemtic Name: (E)-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C17H11IN2O5 MolecularWeight: 450.18411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])I)O

InChI

InChI=1S/C17H11IN2O5/c1-25-15-7-10(6-14(18)17(15)22)5-12(9-19)16(21)11-3-2-4-13(8-11)20(23)24/h2-8,22H,1H3/b12-5+