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

Systemtic Name: N-(3,3-dimethyl-5-oxidanylidene-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(3,3-dimethyl-5-oxo-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(5-keto-3,3-dimethyl-2,4-dihydro-1,4-benzoxazepin-7-yl)-3-methyl-4-nitro-benzamide Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCC(NC3=O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCC(NC3=O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-11-8-12(4-6-15(11)22(25)26)17(23)20-13-5-7-16-14(9-13)18(24)21-19(2,3)10-27-16/h4-9H,10H2,1-3H3,(H,20,23)(H,21,24)