1-[[4-(2-chloranylthiophen-3-yl)phenyl]methyl-methyl-amino]-3-(2-fluoranyl-4-nitro-phenoxy)propan-2-ol

Systemtic Name: 1-[[4-(2-chloranylthiophen-3-yl)phenyl]methyl-methyl-amino]-3-(2-fluoranyl-4-nitro-phenoxy)propan-2-ol Openeye Name: 1-[[4-(2-chloro-3-thienyl)phenyl]methyl-methyl-amino]-3-(2-fluoro-4-nitro-phenoxy)propan-2-ol CAS Name: 1-[[4-(2-chloro-3-thiophenyl)phenyl]methyl-methylamino]-3-(2-fluoro-4-nitrophenoxy)-2-propanol IUPAC Name: 1-[[4-(2-chlorothiophen-3-yl)phenyl]methyl-methylamino]-3-(2-fluoro-4-nitrophenoxy)propan-2-ol Traditional Name: 1-[[4-(2-chloro-3-thienyl)benzyl]-methyl-amino]-3-(2-fluoro-4-nitro-phenoxy)propan-2-ol Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2=C(SC=C2)Cl)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2=C(SC=C2)Cl)CC(COC3=C(C=C(C=C3)[N+](=O)[O-])F)O

InChI

InChI=1S/C21H20ClFN2O4S/c1-24(11-14-2-4-15(5-3-14)18-8-9-30-21(18)22)12-17(26)13-29-20-7-6-16(25(27)28)10-19(20)23/h2-10,17,26H,11-13H2,1H3