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

Systemtic Name: 6-[(E)-3-[3,5-bis(bromanyl)-2-methoxy-phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3,5-dibromo-2-methoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3,5-dibromo-2-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H13Br2NO4 MolecularWeight: 467.10812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H13Br2NO4/c1-24-18-11(6-12(19)8-13(18)20)2-4-15(22)10-3-5-16-14(7-10)21-17(23)9-25-16/h2-8H,9H2,1H3,(H,21,23)/b4-2+