N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C16H12N4O5S/c1-8-3-4-13-14(9(8)2)17-16(26-13)18-15(21)10-5-11(19(22)23)7-12(6-10)20(24)25/h3-7H,1-2H3,(H,17,18,21)