4-[[5-(phenylcarbamoylamino)-1,2,3-oxadiazol-3-ium-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(phenylcarbamoylamino)-1,2,3-oxadiazol-3-ium-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(phenylcarbamoylamino)oxadiazol-3-ium-3-yl]methyl]benzoic acid CAS Name: 4-[[5-[[anilino(oxo)methyl]amino]-3-oxadiazol-3-iumyl]methyl]benzoic acid IUPAC Name: 4-[[5-(phenylcarbamoylamino)oxadiazol-3-ium-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(phenylcarbamoylamino)oxadiazol-3-ium-3-yl]methyl]benzoic acid Formula: C17H15N4O4+ MolecularWeight: 339.3254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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