2-[4-oxidanylidene-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: 2-[4-oxidanylidene-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]pyrrolidine-1-carboxylate Openeye Name: 2-[4-oxo-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]pyrrolidine-1-carboxylate CAS Name: 2-[4-oxo-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]-1-pyrrolidinecarboxylate IUPAC Name: 2-[4-oxo-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-keto-8-(trifluoromethyl)-3,1-benzoxazin-2-yl]pyrrolidine-1-carboxylate Formula: C14H10F3N2O4- MolecularWeight: 327.23541

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[O-])C2=NC3=C(C=CC=C3C(F)(F)F)C(=O)O2

Isomeric SMILES

C1CC(N(C1)C(=O)[O-])C2=NC3=C(C=CC=C3C(F)(F)F)C(=O)O2

InChI

InChI=1S/C14H11F3N2O4/c15-14(16,17)8-4-1-3-7-10(8)18-11(23-12(7)20)9-5-2-6-19(9)13(21)22/h1,3-4,9H,2,5-6H2,(H,21,22)/p-1