4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]phthalazine-1-carboxylic acid Formula: C18H12F3N3O5 MolecularWeight: 407.30019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C18H12F3N3O5/c19-18(20,21)29-11-7-5-10(6-8-11)22-14(25)9-24-16(26)13-4-2-1-3-12(13)15(23-24)17(27)28/h1-8H,9H2,(H,22,25)(H,27,28)