7-nitro-3-propan-2-yl-4-[2,2,2-tris(fluoranyl)ethyl]-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 7-nitro-3-propan-2-yl-4-[2,2,2-tris(fluoranyl)ethyl]-2,3-dihydro-1,4-benzoxazine Openeye Name: 3-isopropyl-7-nitro-4-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 7-nitro-3-propan-2-yl-4-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 7-nitro-3-propan-2-yl-4-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine Traditional Name: 3-isopropyl-7-nitro-4-(2,2,2-trifluoroethyl)-2,3-dihydro-1,4-benzoxazine Formula: C13H15F3N2O3 MolecularWeight: 304.26501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1COC2=C(N1CC(F)(F)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1COC2=C(N1CC(F)(F)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15F3N2O3/c1-8(2)11-6-21-12-5-9(18(19)20)3-4-10(12)17(11)7-13(14,15)16/h3-5,8,11H,6-7H2,1-2H3