[4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(4,5-dimethoxy-2-nitro-benzyl)piperazino]-(4-nitrophenyl)methanone Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O7/c1-30-18-11-15(17(24(28)29)12-19(18)31-2)13-21-7-9-22(10-8-21)20(25)14-3-5-16(6-4-14)23(26)27/h3-6,11-12H,7-10,13H2,1-2H3