[5-nitro-2-(2H-1,2,3,4-tetrazol-5-ylcarbamoyl)phenyl] 4-nitrobenzoate

Systemtic Name: [5-nitro-2-(2H-1,2,3,4-tetrazol-5-ylcarbamoyl)phenyl] 4-nitrobenzoate Openeye Name: [5-nitro-2-(2H-tetrazol-5-ylcarbamoyl)phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [5-nitro-2-[oxo-(2H-tetrazol-5-ylamino)methyl]phenyl] ester IUPAC Name: [5-nitro-2-(2H-tetrazol-5-ylcarbamoyl)phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-nitro-2-(2H-tetrazol-5-ylcarbamoyl)phenyl] ester Formula: C15H9N7O7 MolecularWeight: 399.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC3=NNN=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC3=NNN=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H9N7O7/c23-13(16-15-17-19-20-18-15)11-6-5-10(22(27)28)7-12(11)29-14(24)8-1-3-9(4-2-8)21(25)26/h1-7H,(H2,16,17,18,19,20,23)