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

Systemtic Name: 5-tert-butyl-N-[2-tert-butyl-5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[2-tert-butyl-5-chloro-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: 3-tert-butyl-N-[2-tert-butyl-5-chloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: 3-tert-butyl-N-[2-tert-butyl-5-chloro-4-[(4-chlorophenyl)-cyanomethyl]phenyl]-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: 3-tert-butyl-N-[2-tert-butyl-5-chloro-4-[(4-chlorophenyl)-cyano-methyl]phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C30H31Cl2N3O4 MolecularWeight: 568.49084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)NC2=CC(=C(C=C2C(C)(C)C)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=C2C(C)(C)C)C(C#N)C3=CC=C(C=C3)Cl)Cl)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H31Cl2N3O4/c1-16-25(35(38)39)13-22(30(5,6)7)27(36)26(16)28(37)34-24-14-23(32)19(12-21(24)29(2,3)4)20(15-33)17-8-10-18(31)11-9-17/h8-14,20,36H,1-7H3,(H,34,37)