4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-ol CAS Name: 4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-piperidinol IUPAC Name: 4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-ol Traditional Name: 4-(4-bromophenyl)-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperidin-4-ol Formula: C19H19BrN2O5 MolecularWeight: 435.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H19BrN2O5/c20-15-3-1-14(2-4-15)19(23)5-7-21(8-6-19)11-13-9-17-18(27-12-26-17)10-16(13)22(24)25/h1-4,9-10,23H,5-8,11-12H2