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

Systemtic Name: 2,6-dimethyl-5-(3-methylbutoxycarbonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-isopentyloxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-[3-methylbutoxy(oxo)methyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-(3-methylbutoxycarbonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-isoamoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-11(2)9-10-28-20(25)17-13(4)21-12(3)16(19(23)24)18(17)14-7-5-6-8-15(14)22(26)27/h5-8,11,18,21H,9-10H2,1-4H3,(H,23,24)