methyl 5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate

Systemtic Name: methyl 5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate CAS Name: 5-nitro-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoate Traditional Name: 5-nitro-2-[4-(2-pyrimidyl)piperazino]benzoic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4/c1-25-15(22)13-11-12(21(23)24)3-4-14(13)19-7-9-20(10-8-19)16-17-5-2-6-18-16/h2-6,11H,7-10H2,1H3