N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-2-oxidanyl-4-phenyl-but-3-ynamide

Systemtic Name: N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-2-oxidanyl-4-phenyl-but-3-ynamide Openeye Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-4-phenyl-but-3-ynamide CAS Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-4-phenyl-3-butynamide IUPAC Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-4-phenylbut-3-ynamide Traditional Name: 2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-(4-nitrophenyl)-4-phenyl-but-3-ynamide Formula: C25H17N3O6 MolecularWeight: 455.41898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(C#CC3=CC=CC=C3)(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(C#CC3=CC=CC=C3)(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C25H17N3O6/c1-16-22-15-19(9-12-21(22)23(29)34-27-16)26-24(30)25(31,14-13-17-5-3-2-4-6-17)18-7-10-20(11-8-18)28(32)33/h2-12,15,31H,1H3,(H,26,30)