6-[(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC4=C(C(=C3)Br)OCO4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Br)OCO4

InChI

InChI=1S/C18H12BrNO5/c19-12-5-10(6-16-18(12)25-9-24-16)1-3-14(21)11-2-4-15-13(7-11)20-17(22)8-23-15/h1-7H,8-9H2,(H,20,22)/b3-1+