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

Systemtic Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)methylene]oxazol-5-one CAS Name: (4Z)-2-(3,4-dimethylphenyl)-4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(3,4-dimethylphenyl)-4-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(3,4-dimethylphenyl)-4-(3-nitro-4-pyrrolidino-benzylidene)-2-oxazolin-5-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-14-5-7-17(11-15(14)2)21-23-18(22(26)29-21)12-16-6-8-19(20(13-16)25(27)28)24-9-3-4-10-24/h5-8,11-13H,3-4,9-10H2,1-2H3/b18-12-