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

Systemtic Name: (4Z)-2-(4-methylphenyl)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]-2-(p-tolyl)oxazol-5-one CAS Name: (4Z)-2-(4-methylphenyl)-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(4-methylphenyl)-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-4-(3-nitro-4-piperidino-benzylidene)-2-(p-tolyl)-2-oxazolin-5-one Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C(=O)O2

InChI

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