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

Systemtic Name: 1-hex-1-ynyl-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Openeye Name: 1-hex-1-ynyl-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one CAS Name: 1-hex-1-ynyl-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one IUPAC Name: 1-hex-1-ynyl-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Traditional Name: 1-hex-1-ynyl-4-nitro-4-(trifluoromethyl)-3,1-benzoxazin-2-one Formula: C15H13F3N2O4 MolecularWeight: 342.26993

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CN1C2=CC=CC=C2C(OC1=O)(C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC#CN1C2=CC=CC=C2C(OC1=O)(C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N2O4/c1-2-3-4-7-10-19-12-9-6-5-8-11(12)14(20(22)23,15(16,17)18)24-13(19)21/h5-6,8-9H,2-4H2,1H3