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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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