(E)-3-(5-bromanyl-2,4-dimethoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-bromanyl-2,4-dimethoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-bromo-2,4-dimethoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-bromo-2,4-dimethoxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN2O5/c1-25-16-9-17(26-2)15(19)8-12(16)6-13(10-20)18(22)11-4-3-5-14(7-11)21(23)24/h3-9H,1-2H3/b13-6+