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

Systemtic Name: 5-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-cyano-phenyl]-2-methyl-3-nitro-6-oxidanyl-benzamide Openeye Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-cyano-phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide CAS Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyanomethyl]-3-cyanophenyl]-2-hydroxy-6-methyl-5-nitrobenzamide IUPAC Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyanomethyl]-3-cyanophenyl]-2-hydroxy-6-methyl-5-nitrobenzamide Traditional Name: 3-tert-butyl-N-[4-[(4-chlorophenyl)-cyano-methyl]-3-cyano-phenyl]-2-hydroxy-6-methyl-5-nitro-benzamide Formula: C27H23ClN4O4 MolecularWeight: 502.94892

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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)C#N)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)C#N)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H23ClN4O4/c1-15-23(32(35)36)12-22(27(2,3)4)25(33)24(15)26(34)31-19-9-10-20(17(11-19)13-29)21(14-30)16-5-7-18(28)8-6-16/h5-12,21,33H,1-4H3,(H,31,34)