4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one CAS Name: 4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Traditional Name: 3-benzyl-4-methyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]coumarin Formula: C24H16F3NO5 MolecularWeight: 455.38275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)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(=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H16F3NO5/c1-14-18-9-8-17(32-21-10-7-16(24(25,26)27)12-20(21)28(30)31)13-22(18)33-23(29)19(14)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3