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

Systemtic Name: diethyl 2,6-dimethyl-4-[2-(2-nitrooxyethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-[2-(2-nitrooxyethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[2-(2-nitrooxyethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-[2-(2-nitrooxyethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[2-(2-nitrooxyethoxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCO[N+](=O)[O-])C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OCCO[N+](=O)[O-])C(=O)OCC)C)C

InChI

InChI=1S/C21H26N2O8/c1-5-28-20(24)17-13(3)22-14(4)18(21(25)29-6-2)19(17)15-9-7-8-10-16(15)30-11-12-31-23(26)27/h7-10,19,22H,5-6,11-12H2,1-4H3