2-[(Z)-[2-(4-butoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-[(Z)-[2-(4-butoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(Z)-[2-(4-butoxyphenyl)-5-oxo-oxazol-4-ylidene]methyl]-6-nitro-phenolate CAS Name: 2-[(Z)-[2-(4-butoxyphenyl)-5-oxo-4-oxazolylidene]methyl]-6-nitrophenolate IUPAC Name: 2-[(Z)-[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-6-nitrophenolate Traditional Name: 2-[(Z)-[2-(4-butoxyphenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-6-nitro-phenolate Formula: C20H17N2O6- MolecularWeight: 381.35878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-])C(=O)O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=N/C(=C\C3=C(C(=CC=C3)[N+](=O)[O-])[O-])/C(=O)O2

InChI

InChI=1S/C20H18N2O6/c1-2-3-11-27-15-9-7-13(8-10-15)19-21-16(20(24)28-19)12-14-5-4-6-17(18(14)23)22(25)26/h4-10,12,23H,2-3,11H2,1H3/p-1/b16-12-