N-[1-(1-adamantyl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[1-(1-adamantyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[1-(1-adamantyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[1-(1-adamantyl)propyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[1-(1-adamantyl)propyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O5/c1-2-20(23-9-14-5-15(10-23)7-16(6-14)11-23)24-21(27)12-25-18-8-17(26(29)30)3-4-19(18)31-13-22(25)28/h3-4,8,14-16,20H,2,5-7,9-13H2,1H3,(H,24,27)