N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)-5-nitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17N3O5/c1-18-14-5-4-12(20(22)23)10-13(14)17(21)19-11-3-6-15-16(9-11)25-8-2-7-24-15/h3-6,9-10,18H,2,7-8H2,1H3,(H,19,21)