N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-nitrothiophene-3-carboxamide Traditional Name: 5-nitro-N-[2-(piperonylcarbamoyl)phenyl]thiophene-3-carboxamide Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c24-19(13-8-18(23(26)27)30-10-13)22-15-4-2-1-3-14(15)20(25)21-9-12-5-6-16-17(7-12)29-11-28-16/h1-8,10H,9,11H2,(H,21,25)(H,22,24)