5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-N-phenyl-benzamide

Systemtic Name: 5-tert-butyl-2-methyl-3-nitro-6-oxidanyl-N-phenyl-benzamide Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-N-phenyl-benzamide CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-N-phenylbenzamide IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-N-phenylbenzamide Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-nitro-N-phenyl-benzamide Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=CC=CC=C2)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=CC=CC=C2)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-11-14(20(23)24)10-13(18(2,3)4)16(21)15(11)17(22)19-12-8-6-5-7-9-12/h5-10,21H,1-4H3,(H,19,22)