O5-ethyl O3-methyl 4-(2-decyl-3,5-dinitro-6-propan-2-yloxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 4-(2-decyl-3,5-dinitro-6-propan-2-yloxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 4-(2-decyl-6-isopropoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-decyl-3,5-dinitro-6-propan-2-yloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 4-(2-decyl-3,5-dinitro-6-propan-2-yloxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-decyl-6-isopropoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C31H45N3O9 MolecularWeight: 603.7037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45N3O9/c1-8-10-11-12-13-14-15-16-17-22-23(33(37)38)18-24(34(39)40)29(43-19(3)4)27(22)28-25(30(35)41-7)20(5)32-21(6)26(28)31(36)42-9-2/h18-19,28,32H,8-17H2,1-7H3