(3-nitrophenyl) 3-butylperoxycarbonyl-3-(2-chloranylphenoxy)-2,6-dimethyl-1-(2-oxidanylpropylamino)-2,4-dihydropyridine-5-carboxylate

Systemtic Name: (3-nitrophenyl) 3-butylperoxycarbonyl-3-(2-chloranylphenoxy)-2,6-dimethyl-1-(2-oxidanylpropylamino)-2,4-dihydropyridine-5-carboxylate Openeye Name: (3-nitrophenyl) 3-butylperoxycarbonyl-3-(2-chlorophenoxy)-1-(2-hydroxypropylamino)-2,6-dimethyl-2,4-dihydropyridine-5-carboxylate CAS Name: 3-[butyldioxy(oxo)methyl]-3-(2-chlorophenoxy)-1-(2-hydroxypropylamino)-2,6-dimethyl-2,4-dihydropyridine-5-carboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-butylperoxycarbonyl-3-(2-chlorophenoxy)-1-(2-hydroxypropylamino)-2,6-dimethyl-2,4-dihydropyridine-5-carboxylate Traditional Name: 3-butylperoxycarbonyl-3-(2-chlorophenoxy)-1-(2-hydroxypropylamino)-2,6-dimethyl-2,4-dihydropyridine-5-carboxylic acid (3-nitrophenyl) ester Formula: C28H34ClN3O9 MolecularWeight: 592.03726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOC(=O)C1(CC(=C(N(C1C)NCC(C)O)C)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOOC(=O)C1(CC(=C(N(C1C)NCC(C)O)C)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3Cl

InChI

InChI=1S/C28H34ClN3O9/c1-5-6-14-38-41-27(35)28(40-25-13-8-7-12-24(25)29)16-23(19(3)31(20(28)4)30-17-18(2)33)26(34)39-22-11-9-10-21(15-22)32(36)37/h7-13,15,18,20,30,33H,5-6,14,16-17H2,1-4H3