1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]isonipecotic acid Formula: C18H21N5O5 MolecularWeight: 387.38984

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-28-14-4-2-12(3-5-14)10-19-16-15(23(26)27)17(21-11-20-16)22-8-6-13(7-9-22)18(24)25/h2-5,11,13H,6-10H2,1H3,(H,24,25)(H,19,20,21)