3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]chromen-2-one

Systemtic Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]chromen-2-one Openeye Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]chromen-2-one CAS Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]chromen-2-one Traditional Name: 3-[3-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]coumarin Formula: C24H12F3N3O6 MolecularWeight: 495.36379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NO3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC(=NO3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H12F3N3O6/c25-24(26,27)15-7-10-20(18(12-15)30(32)33)34-16-8-5-13(6-9-16)21-28-22(36-29-21)17-11-14-3-1-2-4-19(14)35-23(17)31/h1-12H