methyl 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]benzoic acid methyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c1-25-17(22)13-5-6-14(15(12-13)21(23)24)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,12H,8-11H2,1H3