2-(1,3-benzothiazol-2-yl)-4-bromanyl-6-nitro-phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-bromanyl-6-nitro-phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-nitro-phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-nitrophenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-nitrophenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-bromo-6-nitro-phenolate Formula: C13H6BrN2O3S- MolecularWeight: 350.16734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC(=C3[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C13H7BrN2O3S/c14-7-5-8(12(17)10(6-7)16(18)19)13-15-9-3-1-2-4-11(9)20-13/h1-6,17H/p-1