1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Openeye Name: 1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one CAS Name: 1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one IUPAC Name: 1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Traditional Name: 1-(3-nitropent-1-ynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazin-2-one Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O4/c1-2-9(19(21)22)7-8-18-11-6-4-3-5-10(11)12(14(15,16)17)23-13(18)20/h3-6,9,12H,2H2,1H3