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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-3,5-dinitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2-methyl-3,5-dinitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone Traditional Name: (2-methyl-3,5-dinitro-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7/c1-13-16(9-15(23(26)27)10-17(13)24(28)29)20(25)22-6-4-21(5-7-22)11-14-2-3-18-19(8-14)31-12-30-18/h2-3,8-10H,4-7,11-12H2,1H3