1-butyl-4-[2-(2-diethylaminoethylsulfanyl)-5-nitro-phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid

Systemtic Name: 1-butyl-4-[2-(2-diethylaminoethylsulfanyl)-5-nitro-phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Openeye Name: 1-butyl-4-[2-(2-diethylaminoethylsulfanyl)-5-nitro-phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid CAS Name: 1-butyl-4-[2-(2-diethylaminoethylthio)-5-nitrophenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid IUPAC Name: 1-butyl-4-[2-(2-diethylaminoethylsulfanyl)-5-nitrophenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Traditional Name: 1-butyl-4-[2-(2-diethylaminoethylthio)-5-nitro-phenyl]-2,6-dimethyl-4H-pyridine-3,5-dicarboxylic acid Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C(=C1C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])SCCN(CC)CC)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C(C(=C1C)C(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])SCCN(CC)CC)C(=O)O)C

InChI

InChI=1S/C25H35N3O6S/c1-6-9-12-27-16(4)21(24(29)30)23(22(17(27)5)25(31)32)19-15-18(28(33)34)10-11-20(19)35-14-13-26(7-2)8-3/h10-11,15,23H,6-9,12-14H2,1-5H3,(H,29,30)(H,31,32)