4-(benzotriazol-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(benzotriazol-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(benzotriazol-1-yl)-3-nitro-benzoic acid CAS Name: 4-(1-benzotriazolyl)-3-nitrobenzoic acid IUPAC Name: 4-(benzotriazol-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(benzotriazol-1-yl)-3-nitro-benzoic acid Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4/c18-13(19)8-5-6-11(12(7-8)17(20)21)16-10-4-2-1-3-9(10)14-15-16/h1-7H,(H,18,19)