N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C23H22FN5O5 MolecularWeight: 467.449683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN5O5/c1-23(2,3)19-11-20(28(26-19)15-6-4-14(24)5-7-15)25-21(30)12-27-17-10-16(29(32)33)8-9-18(17)34-13-22(27)31/h4-11H,12-13H2,1-3H3,(H,25,30)