N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[(3-nitro-4-pyrrolidino-benzoyl)amino]phenyl]-piperonylamide Formula: C25H22N4O6 MolecularWeight: 474.46538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6/c30-24(16-6-8-20(21(12-16)29(32)33)28-10-1-2-11-28)26-18-4-3-5-19(14-18)27-25(31)17-7-9-22-23(13-17)35-15-34-22/h3-9,12-14H,1-2,10-11,15H2,(H,26,30)(H,27,31)