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

Systemtic Name: 6-[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(3-methoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-methoxy-4-propoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H21NO5 MolecularWeight: 367.39514

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-10-26-19-8-5-14(11-20(19)25-2)4-7-17(23)15-6-9-18-16(12-15)22-21(24)13-27-18/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)/b7-4+