4-(2-chloranyl-5-nitro-phenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-5-nitro-phenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-5-nitro-phenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-5-nitrophenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-5-nitrophenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-5-nitro-phenyl)-1,2,6-triethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1CC)CC)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1CC)CC)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C19H21ClN2O6/c1-4-13-16(18(23)24)15(11-9-10(22(27)28)7-8-12(11)20)17(19(25)26)14(5-2)21(13)6-3/h7-9,15H,4-6H2,1-3H3,(H,23,24)(H,25,26)