4-nitro-3-oxidanyl-N-pentan-3-yl-benzamide

Systemtic Name: 4-nitro-3-oxidanyl-N-pentan-3-yl-benzamide Openeye Name: N-(1-ethylpropyl)-3-hydroxy-4-nitro-benzamide CAS Name: 3-hydroxy-4-nitro-N-pentan-3-ylbenzamide IUPAC Name: 3-hydroxy-4-nitro-N-pentan-3-ylbenzamide Traditional Name: N-(1-ethylpropyl)-3-hydroxy-4-nitro-benzamide Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-3-9(4-2)13-12(16)8-5-6-10(14(17)18)11(15)7-8/h5-7,9,15H,3-4H2,1-2H3,(H,13,16)