1-[3-[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[3-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one CAS Name: 1-[3-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[3-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)acryloyl]phenyl]-2-pyrrolidone Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC(=CC=C2)N3CCCC3=O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC(=CC=C2)N3CCCC3=O)Br)OC

InChI

InChI=1S/C21H20BrNO4/c1-26-19-12-14(17(22)13-20(19)27-2)8-9-18(24)15-5-3-6-16(11-15)23-10-4-7-21(23)25/h3,5-6,8-9,11-13H,4,7,10H2,1-2H3/b9-8+