6-[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3)OCC

InChI

InChI=1S/C22H22ClNO5/c1-3-9-28-22-16(23)10-14(11-20(22)27-4-2)5-7-18(25)15-6-8-19-17(12-15)24-21(26)13-29-19/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,24,26)/b7-5+