4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one CAS Name: 4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Traditional Name: 3-benzyl-4,8-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]coumarin Formula: C25H18F3NO5 MolecularWeight: 469.40933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H18F3NO5/c1-14-18-9-11-21(33-22-10-8-17(25(26,27)28)13-20(22)29(31)32)15(2)23(18)34-24(30)19(14)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3