N-[1-(1-adamantyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCCN4C5=C(C=C(C=C5)[N+](=O)[O-])OC4=O

InChI

InChI=1S/C23H29N3O5/c1-14(23-11-15-7-16(12-23)9-17(8-15)13-23)24-21(27)3-2-6-25-19-5-4-18(26(29)30)10-20(19)31-22(25)28/h4-5,10,14-17H,2-3,6-9,11-13H2,1H3,(H,24,27)