2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-bromanyl-4-nitro-phenolate

Systemtic Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[(Z)-(1,3-benzothiazol-2-ylhydrazono)methyl]-6-bromo-4-nitro-phenolate Formula: C14H8BrN4O3S- MolecularWeight: 392.20732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9BrN4O3S/c15-10-6-9(19(21)22)5-8(13(10)20)7-16-18-14-17-11-3-1-2-4-12(11)23-14/h1-7,20H,(H,17,18)/p-1/b16-7-