N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(5-acetyl-4-methyl-2-thiazolyl)-3,5-dinitrobenzamide IUPAC Name: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(5-acetyl-4-methyl-thiazol-2-yl)-3,5-dinitro-benzamide Formula: C13H10N4O6S MolecularWeight: 350.3067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H10N4O6S/c1-6-11(7(2)18)24-13(14-6)15-12(19)8-3-9(16(20)21)5-10(4-8)17(22)23/h3-5H,1-2H3,(H,14,15,19)