4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-1,4-diethyl-2,6-dimethyl-pyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-1,4-diethyl-2,6-dimethyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,4-diethyl-2,6-dimethyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,4-diethyl-2,6-dimethylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,4-diethyl-2,6-dimethylpyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,4-diethyl-2,6-dimethyl-dinicotinic acid Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=C(N(C(=C1C(=O)O)C)CC)C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN

Isomeric SMILES

CCC1(C(=C(N(C(=C1C(=O)O)C)CC)C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN

InChI

InChI=1S/C23H31N3O7/c1-5-23(17-13-16(26(31)32)9-10-18(17)33-12-8-7-11-24)19(21(27)28)14(3)25(6-2)15(4)20(23)22(29)30/h9-10,13H,5-8,11-12,24H2,1-4H3,(H,27,28)(H,29,30)