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

Systemtic Name: 6-[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-bromo-4-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H14BrNO4 MolecularWeight: 388.21206

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO4/c1-23-16-6-3-11(8-13(16)19)2-5-15(21)12-4-7-17-14(9-12)20-18(22)10-24-17/h2-9H,10H2,1H3,(H,20,22)/b5-2+