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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C21H13ClN3O4S- MolecularWeight: 438.86362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C21H14ClN3O4S/c1-29-18-10-14(25(27)28)8-12(20(18)26)11-23-13-6-7-16(22)15(9-13)21-24-17-4-2-3-5-19(17)30-21/h2-11,26H,1H3/p-1