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

Systemtic Name: 6-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-ethoxy-4-propargyloxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H19NO5 MolecularWeight: 377.38996

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5/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/h1,5-10,12-13H,4,11,14H2,2H3,(H,23,25)/b8-5+