N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,4-dinitro-benzamide Formula: C16H12N4O5S MolecularWeight: 372.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

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