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

Systemtic Name: (4Z)-2-(3,4-diethoxyphenyl)-4-[(3-nitro-4-piperidin-1-yl-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: (4Z)-2-(3,4-diethoxyphenyl)-4-[[3-nitro-4-(1-piperidyl)phenyl]methylene]oxazol-5-one CAS Name: (4Z)-2-(3,4-diethoxyphenyl)-4-[[3-nitro-4-(1-piperidinyl)phenyl]methylidene]-5-oxazolone IUPAC Name: (4Z)-2-(3,4-diethoxyphenyl)-4-[(3-nitro-4-piperidin-1-ylphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: (4Z)-2-(3,4-diethoxyphenyl)-4-(3-nitro-4-piperidino-benzylidene)-2-oxazolin-5-one Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)O2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])/C(=O)O2)OCC

InChI

InChI=1S/C25H27N3O6/c1-3-32-22-11-9-18(16-23(22)33-4-2)24-26-19(25(29)34-24)14-17-8-10-20(21(15-17)28(30)31)27-12-6-5-7-13-27/h8-11,14-16H,3-7,12-13H2,1-2H3/b19-14-