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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(4-nitrophenyl)acetamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5/c1-4-11-24-18-10-7-16(13-19(18)30-14-22(2,3)21(24)27)23-20(26)12-15-5-8-17(9-6-15)25(28)29/h4-10,13H,1,11-12,14H2,2-3H3,(H,23,26)