methyl 5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(3-pyridylmethyl)piperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-(3-pyridinylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzoate Traditional Name: 5-nitro-2-[4-(3-pyridylmethyl)piperazino]benzoic acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CN=CC=C3

InChI

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