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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C20H11ClN3O3S- MolecularWeight: 408.83764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C20H12ClN3O3S/c21-14-8-13(19(25)17(10-14)24(26)27)11-22-15-5-3-4-12(9-15)20-23-16-6-1-2-7-18(16)28-20/h1-11,25H/p-1