prop-2-enyl 4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoate

Systemtic Name: prop-2-enyl 4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoate Openeye Name: allyl 4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxybenzoate CAS Name: 4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furanyl)methoxy]phosphoryl]oxybenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoate Traditional Name: 4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxybenzoic acid allyl ester Formula: C20H24ClN2O8P MolecularWeight: 486.839921

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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)C(=O)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN2O8P/c1-3-14-28-20(24)16-6-8-17(9-7-16)31-32(27,22(2)13-5-4-12-21)29-15-18-10-11-19(30-18)23(25)26/h3,6-11H,1,4-5,12-15H2,2H3