2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C

InChI

InChI=1S/C19H20N2O6/c1-12-5-3-6-16(13(12)2)27-11-19(22)20-14-9-17-18(10-15(14)21(23)24)26-8-4-7-25-17/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,20,22)