2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenolate Traditional Name: 2-methoxy-6-nitro-4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenolate Formula: C18H20N4O6 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-28-17-11-13(10-16(18(17)23)22(26)27)12-19-6-8-20(9-7-19)14-2-4-15(5-3-14)21(24)25/h2-5,10-11,23H,6-9,12H2,1H3