2-(benzotriazol-2-yl)-4-methyl-6-nitro-phenolate

Systemtic Name: 2-(benzotriazol-2-yl)-4-methyl-6-nitro-phenolate Openeye Name: 2-(benzotriazol-2-yl)-4-methyl-6-nitro-phenolate CAS Name: 2-(2-benzotriazolyl)-4-methyl-6-nitrophenolate IUPAC Name: 2-(benzotriazol-2-yl)-4-methyl-6-nitrophenolate Traditional Name: 2-(benzotriazol-2-yl)-4-methyl-6-nitro-phenolate Formula: C13H9N4O3- MolecularWeight: 269.23556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N2N=C3C=CC=CC3=N2

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])[O-])N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C13H10N4O3/c1-8-6-11(13(18)12(7-8)17(19)20)16-14-9-4-2-3-5-10(9)15-16/h2-7,18H,1H3/p-1