1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one

Systemtic Name: 1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Openeye Name: 1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one CAS Name: 1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one IUPAC Name: 1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Traditional Name: 1-(2-cyclopropylethynyl)-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Formula: C14H9F3N2O4 MolecularWeight: 326.22747

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CN2C3=CC=CC=C3C(OC2=O)(C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1C#CN2C3=CC=CC=C3C(OC2=O)(C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H9F3N2O4/c15-14(16,17)13(19(21)22)10-3-1-2-4-11(10)18(12(20)23-13)8-7-9-5-6-9/h1-4,9H,5-6H2