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

Systemtic Name: 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Openeye Name: 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one CAS Name: 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-1-benzopyran-2-one IUPAC Name: 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Traditional Name: 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]coumarin Formula: C19H14F3NO5 MolecularWeight: 393.31337

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H14F3NO5/c1-9-10(2)18(24)28-17-11(3)15(7-5-13(9)17)27-16-6-4-12(19(20,21)22)8-14(16)23(25)26/h4-8H,1-3H3