(E)-1-(4-bromanylthiophen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-bromanylthiophen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-bromo-2-thienyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-bromo-2-thiophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-bromothiophen-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-bromo-2-thienyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C14H8BrNO5S MolecularWeight: 382.18602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)C3=CC(=CS3)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)C3=CC(=CS3)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H8BrNO5S/c15-9-4-14(22-6-9)11(17)2-1-8-3-12-13(21-7-20-12)5-10(8)16(18)19/h1-6H,7H2/b2-1+