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

Systemtic Name: 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-decyl-6-methoxy-3,5-dinitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-decyl-6-methoxy-3,5-dinitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C26H35N3O9 MolecularWeight: 533.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C26H35N3O9/c1-5-6-7-8-9-10-11-12-13-17-18(28(34)35)14-19(29(36)37)24(38-4)22(17)23-20(25(30)31)15(2)27-16(3)21(23)26(32)33/h14,23,27H,5-13H2,1-4H3,(H,30,31)(H,32,33)