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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC

InChI

InChI=1S/C22H23NO5/c1-3-11-27-20-9-6-15(12-21(20)26-4-2)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+