2-(benzimidazol-1-yl)-5-nitro-benzoate

Systemtic Name: 2-(benzimidazol-1-yl)-5-nitro-benzoate Openeye Name: 2-(benzimidazol-1-yl)-5-nitro-benzoate CAS Name: 2-(1-benzimidazolyl)-5-nitrobenzoate IUPAC Name: 2-(benzimidazol-1-yl)-5-nitrobenzoate Traditional Name: 2-(benzimidazol-1-yl)-5-nitro-benzoate Formula: C14H8N3O4- MolecularWeight: 282.23102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H9N3O4/c18-14(19)10-7-9(17(20)21)5-6-12(10)16-8-15-11-3-1-2-4-13(11)16/h1-8H,(H,18,19)/p-1