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

Systemtic Name: methyl 2-[(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(5-nitro-6-piperidino-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H19N5O4/c1-26-17(23)12-7-3-4-8-13(12)20-15-14(22(24)25)16(19-11-18-15)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,18,19,20)