N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-5-nitro-2-furamide Formula: C19H13N3O6S MolecularWeight: 411.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(O2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H13N3O6S/c1-10-12(8-20)19(21-18(23)14-4-5-17(28-14)22(24)25)29-16(10)7-11-2-3-13-15(6-11)27-9-26-13/h2-6H,7,9H2,1H3,(H,21,23)