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

Systemtic Name: 6-[(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H14BrNO5 MolecularWeight: 404.21146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO5/c1-24-16-7-10(6-12(19)18(16)23)2-4-14(21)11-3-5-15-13(8-11)20-17(22)9-25-15/h2-8,23H,9H2,1H3,(H,20,22)/b4-2+