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

Systemtic Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-phenyl]ethanone Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCCC2C3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-13(23)14-4-6-17(18(11-14)22(24)25)21-8-2-3-16(21)15-5-7-19-20(12-15)27-10-9-26-19/h4-7,11-12,16H,2-3,8-10H2,1H3