(E)-N-[2-(5-bromanylthiophen-2-yl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(5-bromanylthiophen-2-yl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(5-bromo-2-thienyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(5-bromo-2-thiophenyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(5-bromo-2-thienyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCCC3=CC=C(S3)Br)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCCC3=CC=C(S3)Br)OCO1

InChI

InChI=1S/C17H15BrN2O5S/c18-15-3-2-14(26-15)5-6-19-16(21)4-1-11-7-13(20(22)23)8-12-9-24-10-25-17(11)12/h1-4,7-8H,5-6,9-10H2,(H,19,21)/b4-1+