3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]cyclohexanecarboxylic acid Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(CC(C1)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H18ClN5O4/c18-11-4-6-12(7-5-11)21-17-19-9-14(23(26)27)15(22-17)20-13-3-1-2-10(8-13)16(24)25/h4-7,9-10,13H,1-3,8H2,(H,24,25)(H2,19,20,21,22)