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

Systemtic Name: 4-methyl-7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-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]-4-methyl-coumarin Formula: C23H20F3N3O6 MolecularWeight: 491.41661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H20F3N3O6/c1-14-10-22(31)35-20-12-16(3-4-17(14)20)34-13-21(30)28-8-6-27(7-9-28)18-5-2-15(23(24,25)26)11-19(18)29(32)33/h2-5,10-12H,6-9,13H2,1H3