5-(2-bromoethylperoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(2-bromoethylperoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Openeye Name: 5-(2-bromoethylperoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 5-[2-bromoethyldioxy(oxo)methyl]-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(2-bromoethylperoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 5-(2-bromoethylperoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)nicotinic acid Formula: C17H15BrN2O7 MolecularWeight: 439.2142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O7/c1-9-13(16(21)22)15(11-4-3-5-12(8-11)20(24)25)14(10(2)19-9)17(23)27-26-7-6-18/h3-5,8H,6-7H2,1-2H3,(H,21,22)