N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[4,7-bis(chloranyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C16H11Cl2N3O5S MolecularWeight: 428.24664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=NC3=C(C=CC(=C3S2)Cl)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H11Cl2N3O5S/c1-25-11-5-7(10(21(23)24)6-12(11)26-2)15(22)20-16-19-13-8(17)3-4-9(18)14(13)27-16/h3-6H,1-2H3,(H,19,20,22)