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

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate Formula: C15H9BrN3O3S- MolecularWeight: 391.21926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=NC3=C(S2)C=C(C=C3)Br)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=NC3=C(S2)C=C(C=C3)Br)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10BrN3O3S/c1-8-4-9(14(20)12(5-8)19(21)22)7-17-15-18-11-3-2-10(16)6-13(11)23-15/h2-7,20H,1H3/p-1