4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid CAS Name: 4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid Traditional Name: 4-(2-chlorophenyl)-2-hexyl-1-methyl-6-nitro-4H-pyridine-3-carboxylic acid Formula: C19H23ClN2O4 MolecularWeight: 378.84992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(C=C(N1C)[N+](=O)[O-])C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C(C=C(N1C)[N+](=O)[O-])C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C19H23ClN2O4/c1-3-4-5-6-11-16-18(19(23)24)14(12-17(21(16)2)22(25)26)13-9-7-8-10-15(13)20/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,24)