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

Systemtic Name: O3-methyl O5-(4-methylpentyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isohexyl O3-methyl 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 O3-methyl ester O5-(4-methylpentyl) ester IUPAC Name: 3-O-methyl 5-O-(4-methylpentyl) 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-isohexyl ester O3-methyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6/c1-13(2)8-7-11-30-22(26)19-15(4)23-14(3)18(21(25)29-5)20(19)16-9-6-10-17(12-16)24(27)28/h6,9-10,12-13,20,23H,7-8,11H2,1-5H3