ethyl 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-[(3,4,5-trimethoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-[(3,4,5-trimethoxybenzyl)amino]pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H29N5O7 MolecularWeight: 475.49496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O7/c1-5-34-22(28)15-6-8-26(9-7-15)21-18(27(29)30)20(24-13-25-21)23-12-14-10-16(31-2)19(33-4)17(11-14)32-3/h10-11,13,15H,5-9,12H2,1-4H3,(H,23,24,25)