4-nitro-2-[[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[2-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[2-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]iminomethyl]phenolate Traditional Name: 2-[[2-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3-benzothiazol-6-yl]iminomethyl]-4-nitro-phenolate Formula: C22H14N5O6S2- MolecularWeight: 508.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H15N5O6S2/c28-19-7-5-17(27(32)33)8-13(19)11-23-14-4-6-18-20(10-14)35-22(25-18)34-12-21(29)24-15-2-1-3-16(9-15)26(30)31/h1-11,28H,12H2,(H,24,29)/p-1