N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

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