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

Systemtic Name: 6-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-butoxyphenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C21H21NO4/c1-2-3-12-25-17-8-4-15(5-9-17)6-10-19(23)16-7-11-20-18(13-16)22-21(24)14-26-20/h4-11,13H,2-3,12,14H2,1H3,(H,22,24)/b10-6+