2-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]ethanoic acid Openeye Name: 2-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxyphenyl]acetic acid CAS Name: 2-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furanyl)methoxy]phosphoryl]oxyphenyl]acetic acid IUPAC Name: 2-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]acetic acid Traditional Name: 2-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxyphenyl]acetic acid Formula: C18H22ClN2O8P MolecularWeight: 460.802641

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCl)P(=O)(OCC1=CC=C(O1)[N+](=O)[O-])OC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CN(CCCCCl)P(=O)(OCC1=CC=C(O1)[N+](=O)[O-])OC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C18H22ClN2O8P/c1-20(11-3-2-10-19)30(26,27-13-16-8-9-17(28-16)21(24)25)29-15-6-4-14(5-7-15)12-18(22)23/h4-9H,2-3,10-13H2,1H3,(H,22,23)