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

Systemtic Name: (E)-3-(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-4-hydroxy-5-iodophenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-hydroxy-5-iodo-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C18H13IN2O5 MolecularWeight: 464.21069

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])I)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])I)O

InChI

InChI=1S/C18H13IN2O5/c1-2-26-16-8-11(7-15(19)18(16)23)6-13(10-20)17(22)12-4-3-5-14(9-12)21(24)25/h3-9,23H,2H2,1H3/b13-6+