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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-4-nitro-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-4-nitrobenzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-4-nitrobenzamide Traditional Name: N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-4-nitro-benzamide Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O5S/c1-12-16(10-22)21(23-20(25)14-3-5-15(6-4-14)24(26)27)30-19(12)9-13-2-7-17-18(8-13)29-11-28-17/h2-8H,9,11H2,1H3,(H,23,25)