ethyl 1-[6-[(6-methoxy-6-oxidanylidene-hexyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[(6-methoxy-6-oxidanylidene-hexyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(6-methoxy-6-oxo-hexyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(6-methoxy-6-oxohexyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(6-methoxy-6-oxohexyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(6-keto-6-methoxy-hexyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H29N5O6 MolecularWeight: 423.46346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H29N5O6/c1-3-30-19(26)14-8-11-23(12-9-14)18-16(24(27)28)17(21-13-22-18)20-10-6-4-5-7-15(25)29-2/h13-14H,3-12H2,1-2H3,(H,20,21,22)