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

Systemtic Name: 6-[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C19H16BrNO5 MolecularWeight: 418.23804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OC

InChI

InChI=1S/C19H16BrNO5/c1-24-17-8-11(13(20)9-18(17)25-2)3-5-15(22)12-4-6-16-14(7-12)21-19(23)10-26-16/h3-9H,10H2,1-2H3,(H,21,23)/b5-3+