4-bromanyl-2-[[4-[(2-methoxy-5-nitro-phenyl)amino]piperidin-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(2-methoxy-5-nitro-phenyl)amino]piperidin-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(2-methoxy-5-nitro-anilino)-1-piperidyl]methyl]phenol CAS Name: 4-bromo-2-[[4-(2-methoxy-5-nitroanilino)-1-piperidinyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(2-methoxy-5-nitroanilino)piperidin-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(2-methoxy-5-nitro-anilino)piperidino]methyl]phenol Formula: C19H22BrN3O4 MolecularWeight: 436.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C19H22BrN3O4/c1-27-19-5-3-16(23(25)26)11-17(19)21-15-6-8-22(9-7-15)12-13-10-14(20)2-4-18(13)24/h2-5,10-11,15,21,24H,6-9,12H2,1H3