2-(5-azanylbenzotriazol-2-yl)-4-nitro-phenolate

Systemtic Name: 2-(5-azanylbenzotriazol-2-yl)-4-nitro-phenolate Openeye Name: 2-(5-aminobenzotriazol-2-yl)-4-nitro-phenolate CAS Name: 2-(5-amino-2-benzotriazolyl)-4-nitrophenolate IUPAC Name: 2-(5-aminobenzotriazol-2-yl)-4-nitrophenolate Traditional Name: 2-(5-aminobenzotriazol-2-yl)-4-nitro-phenolate Formula: C12H8N5O3- MolecularWeight: 270.22362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1N)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC2=NN(N=C2C=C1N)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H9N5O3/c13-7-1-3-9-10(5-7)15-16(14-9)11-6-8(17(19)20)2-4-12(11)18/h1-6,18H,13H2/p-1