2-[(6-bromanyl-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitrophenolate IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitrophenolate Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methoxy-6-nitro-phenolate Formula: C15H9BrN3O4S- MolecularWeight: 407.21866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C=NC2=NC3=C(S2)C=C(C=C3)Br)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C=NC2=NC3=C(S2)C=C(C=C3)Br)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10BrN3O4S/c1-23-10-4-8(14(20)12(6-10)19(21)22)7-17-15-18-11-3-2-9(16)5-13(11)24-15/h2-7,20H,1H3/p-1