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

Systemtic Name: 2-(3-chloranyl-5-nitro-phenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(3-chloro-5-nitro-phenyl)-4-[(4-octoxyphenyl)methylene]oxazol-5-one CAS Name: 2-(3-chloro-5-nitrophenyl)-4-[(4-octoxyphenyl)methylidene]-5-oxazolone IUPAC Name: 2-(3-chloro-5-nitrophenyl)-4-[(4-octoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(3-chloro-5-nitro-phenyl)-4-(4-octoxybenzylidene)-2-oxazolin-5-one Formula: C24H25ClN2O5 MolecularWeight: 456.9187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H25ClN2O5/c1-2-3-4-5-6-7-12-31-21-10-8-17(9-11-21)13-22-24(28)32-23(26-22)18-14-19(25)16-20(15-18)27(29)30/h8-11,13-16H,2-7,12H2,1H3