4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 3-nitro-4-(4-piperonyloylpiperazino)benzamide Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O6/c20-18(24)12-1-3-14(15(9-12)23(26)27)21-5-7-22(8-6-21)19(25)13-2-4-16-17(10-13)29-11-28-16/h1-4,9-10H,5-8,11H2,(H2,20,24)