(4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-oxazolin-5-one Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=CC5=CC6=C(C=C5[N+](=O)[O-])OCO6)C(=O)O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=N/C(=C\C5=CC6=C(C=C5[N+](=O)[O-])OCO6)/C(=O)O4

InChI

InChI=1S/C21H20N2O6/c24-19-15(4-14-5-17-18(28-10-27-17)6-16(14)23(25)26)22-20(29-19)21-7-11-1-12(8-21)3-13(2-11)9-21/h4-6,11-13H,1-3,7-10H2/b15-4-