[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,4-dinitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone Traditional Name: (2,4-dinitrophenyl)-(4-piperonylpiperazino)methanone Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O7/c24-19(15-3-2-14(22(25)26)10-16(15)23(27)28)21-7-5-20(6-8-21)11-13-1-4-17-18(9-13)30-12-29-17/h1-4,9-10H,5-8,11-12H2