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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-nitro-phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-nitro-phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-nitrophenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-nitrophenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-nitro-phenolate Formula: C13H7N2O3S- MolecularWeight: 271.27128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O3S/c16-11-6-5-8(15(17)18)7-9(11)13-14-10-3-1-2-4-12(10)19-13/h1-7,16H/p-1