4-[3-[(3-chlorophenyl)methyl]thiophen-2-yl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-[3-[(3-chlorophenyl)methyl]thiophen-2-yl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid Openeye Name: 4-[3-[(3-chlorophenyl)methyl]-2-thienyl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid CAS Name: 4-[3-[(3-chlorophenyl)methyl]-2-thiophenyl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid IUPAC Name: 4-[3-[(3-chlorophenyl)methyl]thiophen-2-yl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid Traditional Name: 4-[3-(3-chlorobenzyl)-2-thienyl]-1-hexyl-2,6-dimethyl-5-nitro-4H-pyridine-3-carboxylic acid Formula: C25H29ClN2O4S MolecularWeight: 489.02676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=C(C=CS2)CC3=CC(=CC=C3)Cl)C(=O)O)C

Isomeric SMILES

CCCCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=C(C=CS2)CC3=CC(=CC=C3)Cl)C(=O)O)C

InChI

InChI=1S/C25H29ClN2O4S/c1-4-5-6-7-12-27-16(2)21(25(29)30)22(23(17(27)3)28(31)32)24-19(11-13-33-24)14-18-9-8-10-20(26)15-18/h8-11,13,15,22H,4-7,12,14H2,1-3H3,(H,29,30)