4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid Formula: C17H18ClN5O4 MolecularWeight: 391.80892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN5O4/c18-11-3-7-13(8-4-11)21-17-19-9-14(23(26)27)15(22-17)20-12-5-1-10(2-6-12)16(24)25/h3-4,7-10,12H,1-2,5-6H2,(H,24,25)(H2,19,20,21,22)