O3-(2-ethoxyethyl) O5-ethyl 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-ethoxyethyl) O5-ethyl 2-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-ethoxyethyl) O5-ethyl 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 O3-(2-ethoxyethyl) ester O5-ethyl ester IUPAC Name: 3-O-(2-ethoxyethyl) 5-O-ethyl 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 O5-(2-ethoxyethyl) ester O3-ethyl ester Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O8/c1-4-29-9-10-31-21(26)19-16(12-24)22-13(3)17(20(25)30-5-2)18(19)14-7-6-8-15(11-14)23(27)28/h6-8,11,18,22,24H,4-5,9-10,12H2,1-3H3