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

Systemtic Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: (4Z)-4-[(4-butoxyphenyl)methylene]-2-(4-methyl-3-nitro-phenyl)oxazol-5-one CAS Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-5-oxazolone IUPAC Name: (4Z)-4-[(4-butoxyphenyl)methylidene]-2-(4-methyl-3-nitrophenyl)-1,3-oxazol-5-one Traditional Name: (4Z)-4-(4-butoxybenzylidene)-2-(4-methyl-3-nitro-phenyl)-2-oxazolin-5-one Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5/c1-3-4-11-27-17-9-6-15(7-10-17)12-18-21(24)28-20(22-18)16-8-5-14(2)19(13-16)23(25)26/h5-10,12-13H,3-4,11H2,1-2H3/b18-12-