O5-(2-methoxyethyl) O3-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-(2-methoxyethyl) O3-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-methoxyethyl) O3-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-methoxyethyl) ester O3-propyl ester IUPAC Name: 5-O-(2-methoxyethyl) 3-O-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-methoxyethyl) ester O3-propyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC)C)C

Isomeric SMILES

CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC)C)C

InChI

InChI=1S/C21H26N2O7/c1-5-9-29-20(24)17-13(2)22-14(3)18(21(25)30-11-10-28-4)19(17)15-7-6-8-16(12-15)23(26)27/h6-8,12,19,22H,5,9-11H2,1-4H3