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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-imidazol-1-yl-3-nitro-phenyl)methanone CAS Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-[4-(1-imidazolyl)-3-nitrophenyl]methanone IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-imidazol-1-yl-3-nitrophenyl)methanone Traditional Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-(4-imidazol-1-yl-3-nitro-phenyl)methanone Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H20N4O5/c27-22(16-3-5-18(19(12-16)26(28)29)24-9-7-23-14-24)25-8-1-2-17(25)15-4-6-20-21(13-15)31-11-10-30-20/h3-7,9,12-14,17H,1-2,8,10-11H2