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

Systemtic Name: 4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-1,2,4,6-tetramethyl-pyridine-3,5-dicarboxylic acid Openeye Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,2,4,6-tetramethyl-pyridine-3,5-dicarboxylic acid CAS Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid IUPAC Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-1,2,4,6-tetramethylpyridine-3,5-dicarboxylic acid Traditional Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-1,2,4,6-tetramethyl-dinicotinic acid Formula: C21H27N3O7 MolecularWeight: 433.45498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1C)C)C(=O)O)(C)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1C)C)C(=O)O)(C)C2=C(C=CC(=C2)[N+](=O)[O-])OCCCCN)C(=O)O

InChI

InChI=1S/C21H27N3O7/c1-12-17(19(25)26)21(3,18(20(27)28)13(2)23(12)4)15-11-14(24(29)30)7-8-16(15)31-10-6-5-9-22/h7-8,11H,5-6,9-10,22H2,1-4H3,(H,25,26)(H,27,28)