4-(2-decyl-6-methoxy-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-decyl-6-methoxy-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-decyl-6-methoxy-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-decyl-6-methoxy-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-decyl-6-methoxy-3-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-decyl-6-methoxy-3-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C26H36N2O7 MolecularWeight: 488.57324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC(=C1C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC(=C1C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H36N2O7/c1-5-6-7-8-9-10-11-12-13-18-19(28(33)34)14-15-20(35-4)23(18)24-21(25(29)30)16(2)27-17(3)22(24)26(31)32/h14-15,24,27H,5-13H2,1-4H3,(H,29,30)(H,31,32)