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

Systemtic Name: 6-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-tert-butylphenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-21(2,3)16-8-4-14(5-9-16)6-10-18(23)15-7-11-19-17(12-15)22-20(24)13-25-19/h4-12H,13H2,1-3H3,(H,22,24)/b10-6+