(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C20H15BrN2O5 MolecularWeight: 443.2475

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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-])Br)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O5/c1-3-7-28-20-17(21)9-13(10-18(20)27-2)8-15(12-22)19(24)14-5-4-6-16(11-14)23(25)26/h3-6,8-11H,1,7H2,2H3/b15-8+