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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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