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

Systemtic Name: 2-(1,3-benzothiazol-2-yliminomethyl)-4-nitro-phenolate Openeye Name: 2-(1,3-benzothiazol-2-yliminomethyl)-4-nitro-phenolate CAS Name: 2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenolate IUPAC Name: 2-(1,3-benzothiazol-2-yliminomethyl)-4-nitrophenolate Traditional Name: 2-(1,3-benzothiazol-2-yliminomethyl)-4-nitro-phenolate Formula: C14H8N3O3S- MolecularWeight: 298.29662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H9N3O3S/c18-12-6-5-10(17(19)20)7-9(12)8-15-14-16-11-3-1-2-4-13(11)21-14/h1-8,18H/p-1