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

Systemtic Name: N-(5-methyl-4-oxidanyl-2-propan-2-yl-phenyl)-2,4-dinitro-benzamide Openeye Name: N-(4-hydroxy-2-isopropyl-5-methyl-phenyl)-2,4-dinitro-benzamide CAS Name: N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-2,4-dinitrobenzamide IUPAC Name: N-(4-hydroxy-5-methyl-2-propan-2-ylphenyl)-2,4-dinitrobenzamide Traditional Name: N-(4-hydroxy-2-isopropyl-5-methyl-phenyl)-2,4-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6/c1-9(2)13-8-16(21)10(3)6-14(13)18-17(22)12-5-4-11(19(23)24)7-15(12)20(25)26/h4-9,21H,1-3H3,(H,18,22)