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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]iminomethyl]-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=C(C=CC(=C3)N=CC4=C(C(=CC=C4)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

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

InChI

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