N'-[3-[(4-carboxyphenyl)methyl]-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate

Systemtic Name: N'-[3-[(4-carboxyphenyl)methyl]-1,2,3-oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Openeye Name: N'-[3-[(4-carboxyphenyl)methyl]oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate CAS Name: N'-[3-[(4-carboxyphenyl)methyl]-5-oxadiazol-3-iumyl]-N-phenylcarbamimidate IUPAC Name: N'-[3-[(4-carboxyphenyl)methyl]oxadiazol-3-ium-5-yl]-N-phenylcarbamimidate Traditional Name: N'-[3-(4-carboxybenzyl)oxadiazol-3-ium-5-yl]-N-phenyl-carbamimidate Formula: C17H14N4O4 MolecularWeight: 338.31746

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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)N/C(=N/C2=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)