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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N1

Isomeric SMILES

CCC1COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N1

InChI

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