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

Systemtic Name: methyl 1-[6-[(4-methylphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(p-tolylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-methylphenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(4-methylphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23N5O4/c1-13-3-5-14(6-4-13)11-20-17-16(24(26)27)18(22-12-21-17)23-9-7-15(8-10-23)19(25)28-2/h3-6,12,15H,7-11H2,1-2H3,(H,20,21,22)