2-(benzotriazol-1-ylmethylamino)-4-nitro-phenolate

Systemtic Name: 2-(benzotriazol-1-ylmethylamino)-4-nitro-phenolate Openeye Name: 2-(benzotriazol-1-ylmethylamino)-4-nitro-phenolate CAS Name: 2-(1-benzotriazolylmethylamino)-4-nitrophenolate IUPAC Name: 2-(benzotriazol-1-ylmethylamino)-4-nitrophenolate Traditional Name: 2-(benzotriazol-1-ylmethylamino)-4-nitro-phenolate Formula: C13H10N5O3- MolecularWeight: 284.2502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H11N5O3/c19-13-6-5-9(18(20)21)7-11(13)14-8-17-12-4-2-1-3-10(12)15-16-17/h1-7,14,19H,8H2/p-1