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

Systemtic Name: hexyl 5-aminocarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: hexyl 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid hexyl ester IUPAC Name: hexyl 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-carbamoyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid hexyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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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)N)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-4-5-6-9-12-29-21(26)18-14(3)23-13(2)17(20(22)25)19(18)15-10-7-8-11-16(15)24(27)28/h7-8,10-11,19,23H,4-6,9,12H2,1-3H3,(H2,22,25)