5-tert-butyl-N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-2-methyl-3-nitro-6-oxidanyl-benzamide

Systemtic Name: 5-tert-butyl-N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: 3-tert-butyl-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: 3-tert-butyl-N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: 3-tert-butyl-N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C27H25Cl2N3O4 MolecularWeight: 526.4111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2C)[N+](=O)[O-])C(C)(C)C)O)Cl)C(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2C)[N+](=O)[O-])C(C)(C)C)O)Cl)C(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H25Cl2N3O4/c1-14-10-18(19(13-30)16-6-8-17(28)9-7-16)21(29)12-22(14)31-26(34)24-15(2)23(32(35)36)11-20(25(24)33)27(3,4)5/h6-12,19,33H,1-5H3,(H,31,34)