tert-butyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-[[(3-methyl-1-oxobutoxy)amino]-oxomethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,6-dimethyl-5-(3-methylbutanoyloxycarbamoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(isovaleryloxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C24H31N3O7 MolecularWeight: 473.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O7/c1-13(2)11-18(28)34-26-22(29)19-14(3)25-15(4)20(23(30)33-24(5,6)7)21(19)16-9-8-10-17(12-16)27(31)32/h8-10,12-13,21,25H,11H2,1-7H3,(H,26,29)