(E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[3,4-bis(oxidanyl)phenyl]carbonyl-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dihydroxybenzoyl)-3-(4-hydroxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-2-protocatechuoyl-acrylonitrile Formula: C17H12INO5 MolecularWeight: 437.18535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)I)O

InChI

InChI=1S/C17H12INO5/c1-24-15-6-9(5-12(18)17(15)23)4-11(8-19)16(22)10-2-3-13(20)14(21)7-10/h2-7,20-21,23H,1H3/b11-4+