methyl 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C17H27N5O6 MolecularWeight: 397.42618

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

COCCN(CCOC)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H27N5O6/c1-26-10-8-21(9-11-27-2)16-14(22(24)25)15(18-12-19-16)20-6-4-13(5-7-20)17(23)28-3/h12-13H,4-11H2,1-3H3