methyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(6-nitro-3-pyridyl)piperazino]methyl]benzoic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4/c1-26-18(23)15-4-2-14(3-5-15)13-20-8-10-21(11-9-20)16-6-7-17(19-12-16)22(24)25/h2-7,12H,8-11,13H2,1H3