3-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-4-nitro-benzamide

Systemtic Name: 3-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-4-nitro-benzamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-3-methyl-4-nitro-benzamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-3-methyl-4-nitro-benzamide Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8-6-9(4-5-10(8)14(17)18)11(16)13-12(2,3)7-15/h4-6,15H,7H2,1-3H3,(H,13,16)