3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]-2-methyl-propanoic acid

Systemtic Name: 3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]-2-methyl-propanoic acid Openeye Name: 3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thienyl)methoxy]phosphoryl]oxyphenyl]-2-methyl-propanoic acid CAS Name: 3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thiophenyl)methoxy]phosphoryl]oxyphenyl]-2-methylpropanoic acid IUPAC Name: 3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrothiophen-2-yl)methoxy]phosphoryl]oxyphenyl]-2-methylpropanoic acid Traditional Name: 3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-thienyl)methoxy]phosphoryl]oxyphenyl]-2-methyl-propionic acid Formula: C20H26ClN2O7PS MolecularWeight: 504.921401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OP(=O)(N(C)CCCCCl)OCC2=CC=C(S2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)OP(=O)(N(C)CCCCCl)OCC2=CC=C(S2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H26ClN2O7PS/c1-15(20(24)25)13-16-5-7-17(8-6-16)30-31(28,22(2)12-4-3-11-21)29-14-18-9-10-19(32-18)23(26)27/h5-10,15H,3-4,11-14H2,1-2H3,(H,24,25)