5-(2-fluoranyl-6-nitro-phenoxy)carbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-fluoranyl-6-nitro-phenoxy)carbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-fluoro-6-nitro-phenoxy)carbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[(2-fluoro-6-nitrophenoxy)-oxomethyl]-2-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(2-fluoro-6-nitrophenoxy)carbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-fluoro-6-nitro-phenoxy)carbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C14H11FN2O6 MolecularWeight: 322.245343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=CN1)C(=O)OC2=C(C=CC=C2F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(CC(=CN1)C(=O)OC2=C(C=CC=C2F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11FN2O6/c1-7-9(13(18)19)5-8(6-16-7)14(20)23-12-10(15)3-2-4-11(12)17(21)22/h2-4,6,16H,5H2,1H3,(H,18,19)