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

Systemtic Name: 5-tert-butyl-N-[3-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[3-chloro-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: 3-tert-butyl-N-[3-chloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: 3-tert-butyl-N-[3-chloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: 3-tert-butyl-N-[3-chloro-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C26H23Cl2N3O4 MolecularWeight: 512.38452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Cl)Cl)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2)C(C#N)C3=CC=C(C=C3)Cl)Cl)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H23Cl2N3O4/c1-14-22(31(34)35)12-20(26(2,3)4)24(32)23(14)25(33)30-17-9-10-18(21(28)11-17)19(13-29)15-5-7-16(27)8-6-15/h5-12,19,32H,1-4H3,(H,30,33)