1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methylamino]-3-nitro-phenyl]ethanone Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCC2(CCCC2)C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-15(25)16-4-6-18(19(12-16)24(26)27)23-14-22(8-2-3-9-22)17-5-7-20-21(13-17)29-11-10-28-20/h4-7,12-13,23H,2-3,8-11,14H2,1H3