(4Z)-2-(1-adamantyl)-4-[(4-chloranyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(4-chloranyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(4-chloro-3-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(4-chloro-3-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(4-chloro-3-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-(4-chloro-3-nitro-benzylidene)-2-oxazolin-5-one Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c21-15-2-1-11(7-17(15)23(25)26)6-16-18(24)27-19(22-16)20-8-12-3-13(9-20)5-14(4-12)10-20/h1-2,6-7,12-14H,3-5,8-10H2/b16-6-