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

Systemtic Name: 2-(3-methylphenyl)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1,3-oxazol-5-one Openeye Name: 2-(m-tolyl)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylene]oxazol-5-one CAS Name: 2-(3-methylphenyl)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-5-oxazolone IUPAC Name: 2-(3-methylphenyl)-4-[[5-nitro-2-(3-phenoxypropoxy)phenyl]methylidene]-1,3-oxazol-5-one Traditional Name: 2-(m-tolyl)-4-[5-nitro-2-(3-phenoxypropoxy)benzylidene]-2-oxazolin-5-one Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CC3=C(C=CC(=C3)[N+](=O)[O-])OCCCOC4=CC=CC=C4)C(=O)O2

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CC3=C(C=CC(=C3)[N+](=O)[O-])OCCCOC4=CC=CC=C4)C(=O)O2

InChI

InChI=1S/C26H22N2O6/c1-18-7-5-8-19(15-18)25-27-23(26(29)34-25)17-20-16-21(28(30)31)11-12-24(20)33-14-6-13-32-22-9-3-2-4-10-22/h2-5,7-12,15-17H,6,13-14H2,1H3