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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-nitro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-nitrobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-nitrobenzamide Traditional Name: N-(4-keto-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-7-yl)-3-nitro-benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=O)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])NC1=O)C

InChI

InChI=1S/C18H17N3O5/c1-18(2)10-26-15-7-6-12(9-14(15)20-17(18)23)19-16(22)11-4-3-5-13(8-11)21(24)25/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)