1-[bromanyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene

Systemtic Name: 1-[bromanyl-[2-(3-oxidanylpyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Openeye Name: 1-[bromo-[2-(3-hydroxypyrrolidin-1-yl)-1-phenyl-ethyl]amino]propan-2-one; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene CAS Name: 1-[bromo-[2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl]amino]-2-propanone; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene IUPAC Name: 1-[bromo-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]amino]propan-2-one; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Traditional Name: 1-[bromo-[2-(3-hydroxypyrrolidino)-1-phenyl-ethyl]amino]acetone; 3-nitrobicyclo[3.1.0]hexa-1(6),2,4-triene Formula: C21H24BrN3O4 MolecularWeight: 462.33696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN(C(CN1CCC(C1)O)C2=CC=CC=C2)Br.C1=C2C1=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CN(C(CN1CCC(C1)O)C2=CC=CC=C2)Br.C1=C2C1=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21BrN2O2.C6H3NO2/c1-12(19)9-18(16)15(13-5-3-2-4-6-13)11-17-8-7-14(20)10-17;8-7(9)6-2-4-1-5(4)3-6/h2-6,14-15,20H,7-11H2,1H3;1-3H