methyl 2-[methyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate

Systemtic Name: methyl 2-[methyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 2-[methyl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C18H21N5O4/c1-21(14-9-5-4-8-13(14)18(24)27-2)16-15(23(25)26)17(20-12-19-16)22-10-6-3-7-11-22/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3