1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-28-15-6-7-19(17(12-15)24(26)27)29-13-20(25)23-10-8-14(9-11-23)21-22-16-4-2-3-5-18(16)30-21/h2-7,12,14H,8-11,13H2,1H3