N-(5-chloranyl-2-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-amine

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-amine Openeye Name: N-(5-chloro-2-nitro-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-amine CAS Name: N-(5-chloro-2-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinamine IUPAC Name: N-(5-chloro-2-nitrophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-amine Traditional Name: (5-chloro-2-nitro-phenyl)-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]amine Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H22ClN3O4/c21-14-5-6-18(24(25)26)17(11-14)22-15-7-9-23(10-8-15)12-16-13-27-19-3-1-2-4-20(19)28-16/h1-6,11,15-16,22H,7-10,12-13H2