4-tert-butyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[(5-nitro-2-oxidanyl-phenyl)methylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-1-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]-2-methyl-propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-1-[(2-hydroxy-5-nitrophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-1-[(2-hydroxy-5-nitro-benzyl)carbamoyl]-2-methyl-propyl]benzamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])O)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H29N3O5/c1-14(2)20(25-21(28)15-6-8-17(9-7-15)23(3,4)5)22(29)24-13-16-12-18(26(30)31)10-11-19(16)27/h6-12,14,20,27H,13H2,1-5H3,(H,24,29)(H,25,28)/t20-/m0/s1