2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]-1,3-benzoxazole Openeye Name: 2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-piperidyl]-1,3-benzoxazole CAS Name: 2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-piperidinyl]-1,3-benzoxazole IUPAC Name: 2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-3-yl]-1,3-benzoxazole Traditional Name: 2-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-piperidyl]-1,3-benzoxazole Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC(CN(C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O5/c25-24(26)17-8-15(20-16(9-17)12-27-13-28-20)11-23-7-3-4-14(10-23)21-22-18-5-1-2-6-19(18)29-21/h1-2,5-6,8-9,14H,3-4,7,10-13H2