4-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-(4-fluorophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4,5-dimethyl-2-nitro-anilino)-2-(4-fluorophenyl)-4-oxo-butanoic acid CAS Name: 4-(4,5-dimethyl-2-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4,5-dimethyl-2-nitroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid Traditional Name: 4-(4,5-dimethyl-2-nitro-anilino)-2-(4-fluorophenyl)-4-keto-butyric acid Formula: C18H17FN2O5 MolecularWeight: 360.336383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CC(C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CC(C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C18H17FN2O5/c1-10-7-15(16(21(25)26)8-11(10)2)20-17(22)9-14(18(23)24)12-3-5-13(19)6-4-12/h3-8,14H,9H2,1-2H3,(H,20,22)(H,23,24)