6-chloranyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-chromen-2-one

Systemtic Name: 6-chloranyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-chromen-2-one Openeye Name: 6-chloro-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-chromen-2-one CAS Name: 6-chloro-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propylchromen-2-one Traditional Name: 6-chloro-7-[2-nitro-4-(trifluoromethyl)phenoxy]-4-propyl-coumarin Formula: C19H13ClF3NO5 MolecularWeight: 427.75843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClF3NO5/c1-2-3-10-6-18(25)29-16-9-17(13(20)8-12(10)16)28-15-5-4-11(19(21,22)23)7-14(15)24(26)27/h4-9H,2-3H2,1H3