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

Systemtic Name: 6-[(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-bromo-4,5-diethoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-bromo-4,5-diethoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-bromo-4,5-diethoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-bromo-4,5-diethoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)Br)OCC

InChI

InChI=1S/C21H20BrNO5/c1-3-26-19-10-13(9-15(22)21(19)27-4-2)5-7-17(24)14-6-8-18-16(11-14)23-20(25)12-28-18/h5-11H,3-4,12H2,1-2H3,(H,23,25)/b7-5+