diethyl 4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[2-(4-azanylbutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[2-(4-aminobutoxy)-5-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O7/c1-5-31-22(27)19-14(3)25-15(4)20(23(28)32-6-2)21(19)17-13-16(26(29)30)9-10-18(17)33-12-8-7-11-24/h9-10,13,21,25H,5-8,11-12,24H2,1-4H3