6-[(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(5-bromanyl-2-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(5-bromo-2-prop-2-ynoxy-phenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(5-bromo-2-prop-2-ynoxyphenyl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(5-bromo-2-propargyloxy-phenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C20H14BrNO4 MolecularWeight: 412.23346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO4/c1-2-9-25-18-8-5-15(21)10-14(18)3-6-17(23)13-4-7-19-16(11-13)22-20(24)12-26-19/h1,3-8,10-11H,9,12H2,(H,22,24)/b6-3+