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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-nitro-phenolate Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-nitro-phenolate CAS Name: 4-(1,3-benzothiazol-2-yl)-2-nitrophenolate IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-nitrophenolate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-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=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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