[[bis(cyanomethyl)amino]-bis(4-chloranyl-3-methyl-phenyl)methyl]phosphonic acid

Systemtic Name: [[bis(cyanomethyl)amino]-bis(4-chloranyl-3-methyl-phenyl)methyl]phosphonic acid Openeye Name: [[bis(cyanomethyl)amino]-bis(4-chloro-3-methyl-phenyl)methyl]phosphonic acid CAS Name: [[bis(cyanomethyl)amino]-bis(4-chloro-3-methylphenyl)methyl]phosphonic acid IUPAC Name: [[bis(cyanomethyl)amino]-bis(4-chloro-3-methylphenyl)methyl]phosphonic acid Traditional Name: [[bis(cyanomethyl)amino]-bis(4-chloro-3-methyl-phenyl)methyl]phosphonic acid Formula: C19H18Cl2N3O3P MolecularWeight: 438.244281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)C)(N(CC#N)CC#N)P(=O)(O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)C)(N(CC#N)CC#N)P(=O)(O)O)Cl

InChI

InChI=1S/C19H18Cl2N3O3P/c1-13-11-15(3-5-17(13)20)19(28(25,26)27,24(9-7-22)10-8-23)16-4-6-18(21)14(2)12-16/h3-6,11-12H,9-10H2,1-2H3,(H2,25,26,27)