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

Systemtic Name: (4Z)-2-(4-methylphenyl)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]-2-(p-tolyl)oxazol-5-one CAS Name: (4Z)-2-(4-methylphenyl)-4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(4-methylphenyl)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-4-(3-nitro-4-pyrrolidino-benzylidene)-2-(p-tolyl)-2-oxazolin-5-one Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])/C(=O)O2

InChI

InChI=1S/C21H19N3O4/c1-14-4-7-16(8-5-14)20-22-17(21(25)28-20)12-15-6-9-18(19(13-15)24(26)27)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3/b17-12-