N-(2,4-dimethylphenyl)-3,5-dinitro-2-oxidanyl-benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-oxidanyl-benzamide Openeye Name: N-(2,4-dimethylphenyl)-2-hydroxy-3,5-dinitro-benzamide CAS Name: N-(2,4-dimethylphenyl)-2-hydroxy-3,5-dinitrobenzamide IUPAC Name: N-(2,4-dimethylphenyl)-2-hydroxy-3,5-dinitrobenzamide Traditional Name: N-(2,4-dimethylphenyl)-2-hydroxy-3,5-dinitro-benzamide Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C15H13N3O6/c1-8-3-4-12(9(2)5-8)16-15(20)11-6-10(17(21)22)7-13(14(11)19)18(23)24/h3-7,19H,1-2H3,(H,16,20)