O5-(4-oxidanylbutyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-(4-oxidanylbutyl) O3-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: O5-(4-hydroxybutyl) O3-isopropyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-(4-hydroxybutyl) ester O3-propan-2-yl ester IUPAC Name: 5-O-(4-hydroxybutyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-(4-hydroxybutyl) ester O3-isopropyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OCCCCO)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OCCCCO)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O7/c1-13(2)31-22(27)19-15(4)23-14(3)18(21(26)30-11-6-5-10-25)20(19)16-8-7-9-17(12-16)24(28)29/h7-9,12-13,25H,5-6,10-11H2,1-4H3