4-(benzotriazol-1-yl)-3-nitro-benzoate

Systemtic Name: 4-(benzotriazol-1-yl)-3-nitro-benzoate Openeye Name: 4-(benzotriazol-1-yl)-3-nitro-benzoate CAS Name: 4-(1-benzotriazolyl)-3-nitrobenzoate IUPAC Name: 4-(benzotriazol-1-yl)-3-nitrobenzoate Traditional Name: 4-(benzotriazol-1-yl)-3-nitro-benzoate Formula: C13H7N4O4- MolecularWeight: 283.21908

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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)/p-1