O3-methyl O5-undecyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-undecyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-undecyl 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 O3-methyl ester O5-undecyl ester IUPAC Name: 3-O-methyl 5-O-undecyl 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 O3-methyl ester O5-undecyl ester Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C27H38N2O6/c1-5-6-7-8-9-10-11-12-13-17-35-27(31)24-20(3)28-19(2)23(26(30)34-4)25(24)21-15-14-16-22(18-21)29(32)33/h14-16,18,25,28H,5-13,17H2,1-4H3