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

Systemtic Name: 3-[2-chloranylethanoyl-(phenylmethyl)amino]-4-(phenylcarbonyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-benzoyl-3-[benzyl-(2-chloroacetyl)amino]oxadiazol-3-ium-5-olate CAS Name: 4-benzoyl-3-[(2-chloro-1-oxoethyl)-(phenylmethyl)amino]-5-oxadiazol-3-iumolate IUPAC Name: 4-benzoyl-3-[benzyl-(2-chloroacetyl)amino]oxadiazol-3-ium-5-olate Traditional Name: 4-benzoyl-3-[benzyl-(2-chloroacetyl)amino]oxadiazol-3-ium-5-olate Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4/c19-11-15(23)21(12-13-7-3-1-4-8-13)22-16(18(25)26-20-22)17(24)14-9-5-2-6-10-14/h1-10H,11-12H2