2-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C15H9ClN4O6S MolecularWeight: 408.77316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9ClN4O6S/c1-26-8-2-3-10-12(6-8)27-15(17-10)18-14(21)9-4-7(19(22)23)5-11(13(9)16)20(24)25/h2-6H,1H3,(H,17,18,21)