5-(3-acetyloxypropoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(3-acetyloxypropoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(3-acetoxypropoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[3-acetyloxypropoxy(oxo)methyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(3-acetyloxypropoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(3-acetoxypropoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8/c1-11-16(19(24)25)18(14-6-4-7-15(10-14)22(27)28)17(12(2)21-11)20(26)30-9-5-8-29-13(3)23/h4,6-7,10,18,21H,5,8-9H2,1-3H3,(H,24,25)