3-[4-[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[4-[2-[(4-carboxyphenyl)amino]-2-oxidanylidene-ethoxy]carbonylphenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[2-(4-carboxyanilino)-2-oxo-ethoxy]carbonylphenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[[2-(4-carboxyanilino)-2-oxoethoxy]-oxomethyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[2-(4-carboxyanilino)-2-oxoethoxy]carbonylphenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[2-(4-carboxyanilino)-2-keto-ethoxy]carbonylphenyl]oxadiazol-3-ium-5-olate Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)COC(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)COC(=O)C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C18H13N3O7/c22-15(19-13-5-1-11(2-6-13)17(24)25)10-27-18(26)12-3-7-14(8-4-12)21-9-16(23)28-20-21/h1-9H,10H2,(H2-,19,20,22,23,24,25)