N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]-3,5-dinitro-benzamide Formula: C17H13N5O8S MolecularWeight: 447.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O8S/c1-10-6-16(19-30-10)20-31(28,29)15-4-2-12(3-5-15)18-17(23)11-7-13(21(24)25)9-14(8-11)22(26)27/h2-9H,1H3,(H,18,23)(H,19,20)