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

Systemtic Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H23NO5 MolecularWeight: 381.42172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OC

InChI

InChI=1S/C22H23NO5/c1-3-4-11-27-20-9-6-15(12-21(20)26-2)5-8-18(24)16-7-10-19-17(13-16)23-22(25)14-28-19/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)/b8-5+