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

Systemtic Name: ethyl 1-[5-nitro-6-[(5-oxidanylidene-5-phenylmethoxy-pentyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(5-benzyloxy-5-oxo-pentyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(5-oxo-5-phenylmethoxypentyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[(5-oxo-5-phenylmethoxypentyl)amino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(5-benzoxy-5-keto-pentyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C24H31N5O6 MolecularWeight: 485.53284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCCCC(=O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O6/c1-2-34-24(31)19-11-14-28(15-12-19)23-21(29(32)33)22(26-17-27-23)25-13-7-6-10-20(30)35-16-18-8-4-3-5-9-18/h3-5,8-9,17,19H,2,6-7,10-16H2,1H3,(H,25,26,27)