ethyl 2-(3-bromanyl-3-fluoranyl-propyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2-(3-bromanyl-3-fluoranyl-propyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-3-fluoro-propyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(3-bromo-3-fluoropropyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-3-fluoropropyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(3-bromo-3-fluoro-propyl)-6-methyl-5-nitro-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C18H19BrFN3O6 MolecularWeight: 472.262363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CCC(F)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-])C)CCC(F)Br

InChI

InChI=1S/C18H19BrFN3O6/c1-3-29-18(24)16-13(7-8-14(19)20)21-10(2)17(23(27)28)15(16)11-5-4-6-12(9-11)22(25)26/h4-6,9,14-15,21H,3,7-8H2,1-2H3