4-(4-bromophenyl)-1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidin-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methyl]piperidin-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyl]piperidin-4-ol CAS Name: 4-(4-bromophenyl)-1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]-4-piperidinol IUPAC Name: 4-(4-bromophenyl)-1-[(4-hydroxy-3-methoxy-5-nitrophenyl)methyl]piperidin-4-ol Traditional Name: 4-(4-bromophenyl)-1-(4-hydroxy-3-methoxy-5-nitro-benzyl)piperidin-4-ol Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])CN2CCC(CC2)(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C19H21BrN2O5/c1-27-17-11-13(10-16(18(17)23)22(25)26)12-21-8-6-19(24,7-9-21)14-2-4-15(20)5-3-14/h2-5,10-11,23-24H,6-9,12H2,1H3