5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]benzene-1,3-dicarboxylate

Systemtic Name: 5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxymethyl]benzene-1,3-dicarboxylate CAS Name: 5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxymethyl]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxymethyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-cyanoethoxy-(diisopropylamino)phosphino]oxymethyl]isophthalate Formula: C18H23N2O6P-2 MolecularWeight: 394.358781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCC#N)OCC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)OCC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H25N2O6P/c1-12(2)20(13(3)4)27(25-7-5-6-19)26-11-14-8-15(17(21)22)10-16(9-14)18(23)24/h8-10,12-13H,5,7,11H2,1-4H3,(H,21,22)(H,23,24)/p-2