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

Systemtic Name: O5-(2-oxidanylidenepropyl) O3-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-acetonyl 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-oxopropyl) ester O3-propyl ester IUPAC Name: 5-O-(2-oxopropyl) 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-acetonyl ester O3-propyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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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)OCC(=O)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-5-9-29-20(25)17-13(3)22-14(4)18(21(26)30-11-12(2)24)19(17)15-7-6-8-16(10-15)23(27)28/h6-8,10,19,22H,5,9,11H2,1-4H3