4-[2-[bis(fluoranyl)methoxy]-5-nitro-phenyl]-2-ethyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-[2-[bis(fluoranyl)methoxy]-5-nitro-phenyl]-2-ethyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-[2-(difluoromethoxy)-5-nitro-phenyl]-2-ethyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-[2-(difluoromethoxy)-5-nitrophenyl]-2-ethyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-[2-(difluoromethoxy)-5-nitrophenyl]-2-ethyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbomethoxy-4-[2-(difluoromethoxy)-5-nitro-phenyl]-2-ethyl-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C18H18F2N2O7 MolecularWeight: 412.341526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F)C(=O)O

InChI

InChI=1S/C18H18F2N2O7/c1-4-11-15(16(23)24)14(13(8(2)21-11)17(25)28-3)10-7-9(22(26)27)5-6-12(10)29-18(19)20/h5-7,14,18,21H,4H2,1-3H3,(H,23,24)