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

Systemtic Name: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Openeye Name: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one CAS Name: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-1-benzopyran-2-one IUPAC Name: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one Traditional Name: 3,4-dimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]coumarin Formula: C18H12F3NO5 MolecularWeight: 379.28679

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3NO5/c1-9-10(2)17(23)27-16-8-12(4-5-13(9)16)26-15-6-3-11(18(19,20)21)7-14(15)22(24)25/h3-8H,1-2H3