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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21N3O6/c1-26-10-7-20-16-5-4-14(22(24)25)12-15(16)19(23)21-13-3-6-17-18(11-13)28-9-2-8-27-17/h3-6,11-12,20H,2,7-10H2,1H3,(H,21,23)