N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[2-(piperonylcarbamoyl)phenyl]-4-pyrrolidino-benzamide Formula: C26H24N4O6 MolecularWeight: 488.49196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O6/c31-25(18-8-9-21(22(14-18)30(33)34)29-11-3-4-12-29)28-20-6-2-1-5-19(20)26(32)27-15-17-7-10-23-24(13-17)36-16-35-23/h1-2,5-10,13-14H,3-4,11-12,15-16H2,(H,27,32)(H,28,31)