5-(2-bromoethyloxycarbonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-bromoethyloxycarbonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-bromoethoxycarbonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-bromoethoxy(oxo)methyl]-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-bromoethoxycarbonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-bromoethoxycarbonyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H15BrN2O6 MolecularWeight: 411.2041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CN1)C(=O)OCCBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=CN1)C(=O)OCCBr)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15BrN2O6/c1-9-13(15(20)21)14(10-3-2-4-11(7-10)19(23)24)12(8-18-9)16(22)25-6-5-17/h2-4,7-8,14,18H,5-6H2,1H3,(H,20,21)