(5E)-5-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazol-4-olate

Systemtic Name: (5E)-5-[(3-methoxy-5-nitro-4-oxidanidyl-phenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazol-4-olate Openeye Name: (5E)-5-[(3-methoxy-5-nitro-4-oxido-phenyl)methylene]-2-(1-naphthylimino)thiazol-4-olate CAS Name: (5E)-5-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-2-(1-naphthalenylimino)-4-thiazololate IUPAC Name: (5E)-5-[(3-methoxy-5-nitro-4-oxidophenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazol-4-olate Traditional Name: (5E)-5-(3-methoxy-5-nitro-4-oxido-benzylidene)-2-(1-naphthylimino)-3-thiazolin-4-olate Formula: C21H13N3O5S-2 MolecularWeight: 419.41002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=NC(=NC3=CC=CC4=CC=CC=C43)S2)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\C(=NC(=NC3=CC=CC4=CC=CC=C43)S2)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-29-17-10-12(9-16(19(17)25)24(27)28)11-18-20(26)23-21(30-18)22-15-8-4-6-13-5-2-3-7-14(13)15/h2-11,25H,1H3,(H,22,23,26)/p-2/b18-11+