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

Systemtic Name: (4Z)-2-(1-adamantyl)-4-[(4-methyl-3-nitro-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(1-adamantyl)-4-[(4-methyl-3-nitro-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(1-adamantyl)-4-[(4-methyl-3-nitrophenyl)methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(1-adamantyl)-4-[(4-methyl-3-nitrophenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(1-adamantyl)-4-(4-methyl-3-nitro-benzylidene)-2-oxazolin-5-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-12-2-3-13(8-18(12)23(25)26)7-17-19(24)27-20(22-17)21-9-14-4-15(10-21)6-16(5-14)11-21/h2-3,7-8,14-16H,4-6,9-11H2,1H3/b17-7-