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

Systemtic Name: 2-(benzotriazol-1-yl)-5-nitro-benzoate Openeye Name: 2-(benzotriazol-1-yl)-5-nitro-benzoate CAS Name: 2-(1-benzotriazolyl)-5-nitrobenzoate IUPAC Name: 2-(benzotriazol-1-yl)-5-nitrobenzoate Traditional Name: 2-(benzotriazol-1-yl)-5-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)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

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