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

Systemtic Name: 4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-1,2,4-triethyl-6-methyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,2,4-triethyl-6-methyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,2,4-triethyl-6-methylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,2,4-triethyl-6-methylpyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,2,4-triethyl-6-methyl-dinicotinic acid Formula: C24H33N3O7 MolecularWeight: 475.53472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O7/c1-5-18-21(23(30)31)24(6-2,20(22(28)29)15(4)26(18)7-3)17-14-16(27(32)33)10-11-19(17)34-13-9-8-12-25/h10-11,14H,5-9,12-13,25H2,1-4H3,(H,28,29)(H,30,31)