1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine-3-carboxylic acid Formula: C18H13F3N2O6 MolecularWeight: 410.30083

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(CN(C1=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H13F3N2O6/c19-18(20,21)11-1-6-15(14(8-11)23(27)28)29-13-4-2-12(3-5-13)22-9-10(17(25)26)7-16(22)24/h1-6,8,10H,7,9H2,(H,25,26)