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

Systemtic Name: 5-(2-bromoethyloxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-(2-bromoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[2-bromoethoxy(oxo)methyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-(2-bromoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(2-bromoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Formula: C17H16BrN2O6- MolecularWeight: 424.22274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O6/c1-9-13(16(21)22)15(11-4-3-5-12(8-11)20(24)25)14(10(2)19-9)17(23)26-7-6-18/h3-5,8,15,19H,6-7H2,1-2H3,(H,21,22)/p-1