4-(phenylcarbonyl)-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-(phenylcarbonyl)-3-[(phenylmethyl)amino]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-benzoyl-3-(benzylamino)oxadiazol-3-ium-5-olate CAS Name: 4-benzoyl-3-[(phenylmethyl)amino]-5-oxadiazol-3-iumolate IUPAC Name: 4-benzoyl-3-(benzylamino)oxadiazol-3-ium-5-olate Traditional Name: 4-benzoyl-3-(benzylamino)oxadiazol-3-ium-5-olate Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN[N+]2=NOC(=C2C(=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN[N+]2=NOC(=C2C(=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H13N3O3/c20-15(13-9-5-2-6-10-13)14-16(21)22-18-19(14)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H-,17,18,20,21)