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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O5/c27-23(17-5-7-19(20(14-17)26(28)29)24-9-1-2-10-24)25-11-3-4-18(25)16-6-8-21-22(15-16)31-13-12-30-21/h5-8,14-15,18H,1-4,9-13H2