4-[[5-[[oxidanidyl(phenylazanyl)methylidene]amino]-1,2,3-oxadiazol-3-ium-3-yl]methyl]benzoate

Systemtic Name: 4-[[5-[[oxidanidyl(phenylazanyl)methylidene]amino]-1,2,3-oxadiazol-3-ium-3-yl]methyl]benzoate Openeye Name: 4-[[5-[[anilino(oxido)methylene]amino]oxadiazol-3-ium-3-yl]methyl]benzoate CAS Name: 4-[[5-[[anilino(oxido)methylidene]amino]-3-oxadiazol-3-iumyl]methyl]benzoate IUPAC Name: 4-[[5-[[anilino(oxido)methylidene]amino]oxadiazol-3-ium-3-yl]methyl]benzoate Traditional Name: 4-[[5-[[anilino(oxido)methylene]amino]oxadiazol-3-ium-3-yl]methyl]benzoate Formula: C17H13N4O4- MolecularWeight: 337.30952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=C[N+](=NO2)CC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=C[N+](=NO2)CC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C17H14N4O4/c22-16(23)13-8-6-12(7-9-13)10-21-11-15(25-20-21)19-17(24)18-14-4-2-1-3-5-14/h1-9,11H,10H2,(H2-,18,19,20,22,23,24)/p-1