[(E)-C-[3-(4-azidophenyl)carbonyloxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 4-azidobenzoate

Systemtic Name: [(E)-C-[3-(4-azidophenyl)carbonyloxy-3-oxidanylidene-propyl]-N-oxidanyl-carbonimidoyl] 4-azidobenzoate Openeye Name: [(E)-C-[3-(4-azidobenzoyl)oxy-3-oxo-propyl]-N-hydroxy-carbonimidoyl] 4-azidobenzoate CAS Name: 4-azidobenzoic acid [(1E)-4-[(4-azidophenyl)-oxomethoxy]-1-hydroxyimino-4-oxobutyl] ester IUPAC Name: [(E)-C-[3-(4-azidobenzoyl)oxy-3-oxopropyl]-N-hydroxycarbonimidoyl] 4-azidobenzoate Traditional Name: 4-azidobenzoic acid [4-(4-azidobenzoyl)oxy-4-keto-butanehydroximoyl] ester Formula: C18H13N7O6 MolecularWeight: 423.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(=NO)CCC(=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O/C(=N/O)/CCC(=O)OC(=O)C2=CC=C(C=C2)N=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C18H13N7O6/c19-24-21-13-5-1-11(2-6-13)17(27)30-15(23-29)9-10-16(26)31-18(28)12-3-7-14(8-4-12)22-25-20/h1-8,29H,9-10H2/b23-15+