3-(azidomethyl)-5-nitro-benzoic acid

Systemtic Name: 3-(azidomethyl)-5-nitro-benzoic acid Openeye Name: 3-(azidomethyl)-5-nitro-benzoic acid CAS Name: 3-(azidomethyl)-5-nitrobenzoic acid IUPAC Name: 3-(azidomethyl)-5-nitrobenzoic acid Traditional Name: 3-(azidomethyl)-5-nitro-benzoic acid Formula: C8H6N4O4 MolecularWeight: 222.15764

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C8H6N4O4/c9-11-10-4-5-1-6(8(13)14)3-7(2-5)12(15)16/h1-3H,4H2,(H,13,14)