N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-(3-nitro-4-pyrrolidin-1-yl-benzoyl)-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-(3-nitro-4-pyrrolidin-1-ylbenzoyl)-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-(3-nitro-4-pyrrolidino-benzoyl)-1,3-benzodioxole-5-carbohydrazide Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6/c24-18(20-21-19(25)13-4-6-16-17(10-13)29-11-28-16)12-3-5-14(15(9-12)23(26)27)22-7-1-2-8-22/h3-6,9-10H,1-2,7-8,11H2,(H,20,24)(H,21,25)