5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)furan-2-carboxamide

Systemtic Name: 5-nitro-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)furan-2-carboxamide Openeye Name: 5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)furan-2-carboxamide CAS Name: 5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-furancarboxamide IUPAC Name: 5-nitro-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)furan-2-carboxamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-5-nitro-2-furamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])N(C1=O)C)C

InChI

InChI=1S/C17H17N3O6/c1-17(2)9-25-13-8-10(4-5-11(13)19(3)16(17)22)18-15(21)12-6-7-14(26-12)20(23)24/h4-8H,9H2,1-3H3,(H,18,21)