bis(2,2-dimethylpropanoyloxymethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2,2-dimethylpropanoyloxymethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2,2-dimethylpropanoyloxymethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis[(2,2-dimethyl-1-oxopropoxy)methyl] ester IUPAC Name: bis(2,2-dimethylpropanoyloxymethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(pivaloyloxymethyl) ester Formula: C27H34N2O10 MolecularWeight: 546.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCOC(=O)C(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCOC(=O)C(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C27H34N2O10/c1-15-19(22(30)36-13-38-24(32)26(3,4)5)21(17-10-9-11-18(12-17)29(34)35)20(16(2)28-15)23(31)37-14-39-25(33)27(6,7)8/h9-12,21,28H,13-14H2,1-8H3