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

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-nitro-4-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=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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