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

Systemtic Name: N-(1-adamantyl)-N-ethyl-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(1-adamantyl)-N-ethyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(1-adamantyl)-N-ethyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(1-adamantyl)-N-ethyl-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(1-adamantyl)-N-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:

CCN(C(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O5/c1-2-25(23-12-15-8-16(13-23)10-17(9-15)14-23)21(27)4-3-7-24-19-6-5-18(26(29)30)11-20(19)31-22(24)28/h5-6,11,15-17H,2-4,7-10,12-14H2,1H3