methyl 5-nitro-2-oxidanylidene-1-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-nitro-2-oxidanylidene-1-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyridine-3-carboxylate Openeye Name: methyl 5-nitro-2-oxo-1-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyridine-3-carboxylate CAS Name: 5-nitro-2-oxo-1-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-nitro-2-oxo-1-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]pyridine-3-carboxylate Traditional Name: 2-keto-5-nitro-1-[(4-pyrazin-2-ylpiperazino)methyl]nicotinic acid methyl ester Formula: C16H18N6O5 MolecularWeight: 374.35132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O5/c1-27-16(24)13-8-12(22(25)26)10-21(15(13)23)11-19-4-6-20(7-5-19)14-9-17-2-3-18-14/h2-3,8-10H,4-7,11H2,1H3