(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C16H14N4O5S MolecularWeight: 374.37116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S/c21-13(17-16-19-18-15(26-16)9-1-2-9)4-3-10-5-12(20(22)23)6-11-7-24-8-25-14(10)11/h3-6,9H,1-2,7-8H2,(H,17,19,21)/b4-3+