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

Systemtic Name: 6-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(3-ethoxy-4-isobutoxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C23H25NO5 MolecularWeight: 395.4483

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-4-27-22-11-16(6-9-21(22)28-13-15(2)3)5-8-19(25)17-7-10-20-18(12-17)24-23(26)14-29-20/h5-12,15H,4,13-14H2,1-3H3,(H,24,26)/b8-5+