(E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-bromanylthiophen-2-yl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(4-bromo-2-thiophenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(4-bromothiophen-2-yl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(4-bromo-2-thienyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C16H10BrN3O5S MolecularWeight: 436.2367

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CC(=CS3)Br)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CC(=CS3)Br)/C#N

InChI

InChI=1S/C16H10BrN3O5S/c17-10-4-11(26-8-10)3-9(7-18)16(21)19-12-5-14-15(25-2-1-24-14)6-13(12)20(22)23/h3-6,8H,1-2H2,(H,19,21)/b9-3+