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

Systemtic Name: 2-chloranyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitro-benzamide CAS Name: 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitro-benzamide Formula: C15H9ClN4O5S MolecularWeight: 392.77376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H9ClN4O5S/c1-7-17-11-3-2-8(4-13(11)26-7)18-15(21)10-5-9(19(22)23)6-12(14(10)16)20(24)25/h2-6H,1H3,(H,18,21)