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

Systemtic Name: 4-[(3-butoxyphenyl)methylidene]-2-(2-chloranyl-4-nitro-phenyl)-1,3-oxazol-5-one Openeye Name: 4-[(3-butoxyphenyl)methylene]-2-(2-chloro-4-nitro-phenyl)oxazol-5-one CAS Name: 4-[(3-butoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-5-oxazolone IUPAC Name: 4-[(3-butoxyphenyl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5-one Traditional Name: 4-(3-butoxybenzylidene)-2-(2-chloro-4-nitro-phenyl)-2-oxazolin-5-one Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O5/c1-2-3-9-27-15-6-4-5-13(10-15)11-18-20(24)28-19(22-18)16-8-7-14(23(25)26)12-17(16)21/h4-8,10-12H,2-3,9H2,1H3