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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-3,5-dinitro-benzamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-3,5-dinitro-benzamide CAS Name: N-(2-hydroxy-4-methylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-3,5-dinitro-benzamide Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c1-8-2-3-12(13(18)4-8)15-14(19)9-5-10(16(20)21)7-11(6-9)17(22)23/h2-7,18H,1H3,(H,15,19)