4-ethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]chromen-2-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3NO5/c1-2-10-7-17(23)27-16-9-12(4-5-13(10)16)26-15-6-3-11(18(19,20)21)8-14(15)22(24)25/h3-9H,2H2,1H3