N-[1-(4-tert-butylphenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[1-(4-tert-butylphenyl)ethyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-14(15-5-7-16(8-6-15)22(2,3)4)23-20(26)12-24-18-11-17(25(28)29)9-10-19(18)30-13-21(24)27/h5-11,14H,12-13H2,1-4H3,(H,23,26)