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

Systemtic Name: 6-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-ethoxy-2-propoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-ethoxy-2-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=CC=C1OCC)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C22H23NO5/c1-3-12-27-22-15(6-5-7-20(22)26-4-2)8-10-18(24)16-9-11-19-17(13-16)23-21(25)14-28-19/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,25)/b10-8+