4-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C18H21N5O4 MolecularWeight: 371.39044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-2-14-5-3-4-10-22(14)17-15(23(26)27)16(19-11-20-17)21-13-8-6-12(7-9-13)18(24)25/h6-9,11,14H,2-5,10H2,1H3,(H,24,25)(H,19,20,21)