diethyl 4-(2-methoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2-methoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2-methoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-methoxy-3,5-dinitro-6-pentadecylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-methoxy-3,5-dinitro-6-pentadecylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-methoxy-3,5-dinitro-6-pentadecyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C35H53N3O9 MolecularWeight: 659.81002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC

InChI

InChI=1S/C35H53N3O9/c1-7-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(37(41)42)23-28(38(43)44)33(45-6)31(26)32-29(34(39)46-8-2)24(4)36-25(5)30(32)35(40)47-9-3/h23,32,36H,7-22H2,1-6H3