[[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid

Systemtic Name: [[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid Openeye Name: [[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid CAS Name: [[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid IUPAC Name: [[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid Traditional Name: [[bis(cyanomethyl)amino]-bis(2-chlorophenyl)methyl]phosphonic acid Formula: C17H14Cl2N3O3P MolecularWeight: 410.191121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)(N(CC#N)CC#N)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)(N(CC#N)CC#N)P(=O)(O)O)Cl

InChI

InChI=1S/C17H14Cl2N3O3P/c18-15-7-3-1-5-13(15)17(26(23,24)25,22(11-9-20)12-10-21)14-6-2-4-8-16(14)19/h1-8H,11-12H2,(H2,23,24,25)