7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethoxy]coumarin Formula: C22H18F3N3O6 MolecularWeight: 477.39003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C22H18F3N3O6/c23-22(24,25)15-3-5-17(18(11-15)28(31)32)26-7-9-27(10-8-26)20(29)13-33-16-4-1-14-2-6-21(30)34-19(14)12-16/h1-6,11-12H,7-10,13H2