4-(benzotriazol-1-yl)-3,5-dinitro-benzoate

Systemtic Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzoate Openeye Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzoate CAS Name: 4-(1-benzotriazolyl)-3,5-dinitrobenzoate IUPAC Name: 4-(benzotriazol-1-yl)-3,5-dinitrobenzoate Traditional Name: 4-(benzotriazol-1-yl)-3,5-dinitro-benzoate Formula: C13H6N5O6- MolecularWeight: 328.21664

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H7N5O6/c19-13(20)7-5-10(17(21)22)12(11(6-7)18(23)24)16-9-4-2-1-3-8(9)14-15-16/h1-6H,(H,19,20)/p-1