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

Systemtic Name: ethyl 1-[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c1-3-29-20(26)16-5-4-10-24(12-16)19-17(25(27)28)18(22-13-23-19)21-11-15-8-6-14(2)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,21,22,23)