2-(4-chloranyl-3-nitro-phenyl)-4-[(3-ethoxy-4-propoxy-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-4-[(3-ethoxy-4-propoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-4-[(3-ethoxy-4-propoxy-phenyl)methylene]oxazol-5-one CAS Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-5-oxazolone IUPAC Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-4-(3-ethoxy-4-propoxy-benzylidene)-2-oxazolin-5-one Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H19ClN2O6/c1-3-9-29-18-8-5-13(11-19(18)28-4-2)10-16-21(25)30-20(23-16)14-6-7-15(22)17(12-14)24(26)27/h5-8,10-12H,3-4,9H2,1-2H3