2-methoxy-6-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenolate Traditional Name: 2-methoxy-6-nitro-4-[[4-(2-pyrimidyl)piperazino]methyl]phenolate Formula: C16H18N5O4- MolecularWeight: 344.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H19N5O4/c1-25-14-10-12(9-13(15(14)22)21(23)24)11-19-5-7-20(8-6-19)16-17-3-2-4-18-16/h2-4,9-10,22H,5-8,11H2,1H3/p-1