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

Systemtic Name: methyl 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23N5O5/c1-28-15-5-3-13(4-6-15)11-20-17-16(24(26)27)18(22-12-21-17)23-9-7-14(8-10-23)19(25)29-2/h3-6,12,14H,7-11H2,1-2H3,(H,20,21,22)