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

Systemtic Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-(2,4-dinitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(2,4-dinitrophenyl)methanone Traditional Name: [4-(1,3-benzodioxol-5-yl)piperazino]-(2,4-dinitrophenyl)methanone Formula: C18H16N4O7 MolecularWeight: 400.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O7/c23-18(14-3-1-13(21(24)25)9-15(14)22(26)27)20-7-5-19(6-8-20)12-2-4-16-17(10-12)29-11-28-16/h1-4,9-10H,5-8,11H2