(E)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)acrylamide Formula: C23H25N3O5 MolecularWeight: 423.4617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

InChI

InChI=1S/C23H25N3O5/c1-4-13-25-19-11-8-17(14-20(19)31-15-23(2,3)22(25)28)24-21(27)12-7-16-5-9-18(10-6-16)26(29)30/h5-12,14H,4,13,15H2,1-3H3,(H,24,27)/b12-7+