N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-4-methyl-3-nitro-benzamide Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CC=C)(C)C)[N+](=O)[O-]

InChI

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