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

Systemtic Name: (E)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)acrylamide Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C1=O)CC=C)C

InChI

InChI=1S/C23H23N3O5/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/h4-12,14H,1,13,15H2,2-3H3,(H,24,27)/b12-7+