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

Systemtic Name: 2-(4-butoxyphenyl)-4-[[(4-chloranyl-3-nitro-phenyl)amino]methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-butoxyphenyl)-4-[(4-chloro-3-nitro-anilino)methylene]oxazol-5-one CAS Name: 2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-5-oxazolone IUPAC Name: 2-(4-butoxyphenyl)-4-[(4-chloro-3-nitroanilino)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-butoxyphenyl)-4-[(4-chloro-3-nitro-anilino)methylene]-2-oxazolin-5-one Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CNC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=CNC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C20H18ClN3O5/c1-2-3-10-28-15-7-4-13(5-8-15)19-23-17(20(25)29-19)12-22-14-6-9-16(21)18(11-14)24(26)27/h4-9,11-12,22H,2-3,10H2,1H3