1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3-nitrophenyl)amino]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3-nitrophenyl)amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-nitroanilino)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-nitroanilino)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-nitroanilino)ethanone Traditional Name: 2-(3-nitroanilino)-1-(4-piperonylpiperazino)ethanone Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c25-20(12-21-16-2-1-3-17(11-16)24(26)27)23-8-6-22(7-9-23)13-15-4-5-18-19(10-15)29-14-28-18/h1-5,10-11,21H,6-9,12-14H2