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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C\2=NOC(=O)/C2=C\C3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

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