4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-[2-(4-nitrophenyl)ethynyl]-2-oxidanyl-4-phenyl-pentanamide

Systemtic Name: 4-methyl-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-[2-(4-nitrophenyl)ethynyl]-2-oxidanyl-4-phenyl-pentanamide Openeye Name: 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[2-(4-nitrophenyl)ethynyl]-4-phenyl-pentanamide CAS Name: 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[2-(4-nitrophenyl)ethynyl]-4-phenylpentanamide IUPAC Name: 2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[2-(4-nitrophenyl)ethynyl]-4-phenylpentanamide Traditional Name: 2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-neophyl-4-(4-nitrophenyl)but-3-ynamide Formula: C29H25N3O6 MolecularWeight: 511.5253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC=C3)(C#CC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC=C3)(C#CC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C29H25N3O6/c1-19-25-17-22(11-14-24(25)26(33)38-31-19)30-27(34)29(35,18-28(2,3)21-7-5-4-6-8-21)16-15-20-9-12-23(13-10-20)32(36)37/h4-14,17,35H,18H2,1-3H3,(H,30,34)