2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O5/c1-15-5-7-17(25(27)28)13-18(15)23-22(26)14-24-9-2-4-19(24)16-6-8-20-21(12-16)30-11-3-10-29-20/h5-8,12-13,19H,2-4,9-11,14H2,1H3,(H,23,26)