2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid

Systemtic Name: 2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Openeye Name: 2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid CAS Name: 2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid IUPAC Name: 2-hexyl-5-methoxycarbonyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-2-hexyl-6-methyl-1-(4-nitrophenyl)-4H-pyridine-3-carboxylic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)OC)C(=O)O

Isomeric SMILES

CCCCCCC1=C(CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)C(=O)OC)C(=O)O

InChI

InChI=1S/C21H26N2O6/c1-4-5-6-7-8-19-18(20(24)25)13-17(21(26)29-3)14(2)22(19)15-9-11-16(12-10-15)23(27)28/h9-12H,4-8,13H2,1-3H3,(H,24,25)