diethyl 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(10-nitrooxydecoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H42N2O8 MolecularWeight: 546.65238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCCCCCCCO[N+](=O)[O-])C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCCCCCCCCCO[N+](=O)[O-])C(=O)OCC)C)C

InChI

InChI=1S/C29H42N2O8/c1-5-36-28(32)25-21(3)30-22(4)26(29(33)37-6-2)27(25)23-17-13-14-18-24(23)38-19-15-11-9-7-8-10-12-16-20-39-31(34)35/h13-14,17-18,27,30H,5-12,15-16,19-20H2,1-4H3