bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester IUPAC Name: bis(2-propoxyethyl) 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid bis(2-propoxyethyl) ester Formula: C25H34N2O9 MolecularWeight: 506.54546

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)CO)C

Isomeric SMILES

CCCOCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOCCC)CO)C

InChI

InChI=1S/C25H34N2O9/c1-4-9-33-11-13-35-24(29)21-17(3)26-20(16-28)23(25(30)36-14-12-34-10-5-2)22(21)18-7-6-8-19(15-18)27(31)32/h6-8,15,22,26,28H,4-5,9-14,16H2,1-3H3