6,7-dimethoxy-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazole

Systemtic Name: 6,7-dimethoxy-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazole Openeye Name: 6,7-dimethoxy-3-[2-[1-[(3-nitrophenyl)methyl]-4-piperidyl]ethyl]-1,2-benzoxazole CAS Name: 6,7-dimethoxy-3-[2-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]ethyl]-1,2-benzoxazole IUPAC Name: 6,7-dimethoxy-3-[2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazole Traditional Name: 6,7-dimethoxy-3-[2-[1-(3-nitrobenzyl)-4-piperidyl]ethyl]indoxazene Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NO2)CCC3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=NO2)CCC3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O5/c1-29-21-9-7-19-20(24-31-22(19)23(21)30-2)8-6-16-10-12-25(13-11-16)15-17-4-3-5-18(14-17)26(27)28/h3-5,7,9,14,16H,6,8,10-13,15H2,1-2H3