[4-(trifluoromethyl)phenyl]methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [4-(trifluoromethyl)benzyl] ester Formula: C18H13F3N2O6 MolecularWeight: 410.30083

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2O6/c19-18(20,21)12-3-1-11(2-4-12)9-29-17(25)8-22-14-7-13(23(26)27)5-6-15(14)28-10-16(22)24/h1-7H,8-10H2