hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-enylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-enylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: hexyl 5-(allylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-[oxo-(prop-2-enylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid hexyl ester IUPAC Name: hexyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(prop-2-enylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid hexyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NCC=C)C)C

InChI

InChI=1S/C24H31N3O5/c1-5-7-8-11-15-32-24(29)21-17(4)26-16(3)20(23(28)25-14-6-2)22(21)18-12-9-10-13-19(18)27(30)31/h6,9-10,12-13,22,26H,2,5,7-8,11,14-15H2,1,3-4H3,(H,25,28)