N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C19H15F3N4O6 MolecularWeight: 452.34081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H15F3N4O6/c1-10(27)23-11-2-4-14(13(6-11)19(20,21)22)24-17(28)8-25-15-7-12(26(30)31)3-5-16(15)32-9-18(25)29/h2-7H,8-9H2,1H3,(H,23,27)(H,24,28)