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

Systemtic Name: (E)-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(4-nitrophenyl)acrylamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=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/C22H23N3O5/c1-4-24-18-11-8-16(13-19(18)30-14-22(2,3)21(24)27)23-20(26)12-7-15-5-9-17(10-6-15)25(28)29/h5-13H,4,14H2,1-3H3,(H,23,26)/b12-7+