methyl 3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]benzoate Traditional Name: 3-nitro-4-[4-(4-nitrophenyl)piperazino]benzoic acid methyl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c1-28-18(23)13-2-7-16(17(12-13)22(26)27)20-10-8-19(9-11-20)14-3-5-15(6-4-14)21(24)25/h2-7,12H,8-11H2,1H3