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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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