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

Systemtic Name: 6-[(E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

InChI

InChI=1S/C20H18BrNO5/c1-3-26-20-14(21)8-12(9-18(20)25-2)4-6-16(23)13-5-7-17-15(10-13)22-19(24)11-27-17/h4-10H,3,11H2,1-2H3,(H,22,24)/b6-4+