2-chloranyl-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-phenyl-pentanedinitrile

Systemtic Name: 2-chloranyl-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-phenyl-pentanedinitrile Openeye Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-phenyl-pentanedinitrile CAS Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-phenylpentanedinitrile IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine; 2,4-dinitro-3-phenylpentanedinitrile Traditional Name: bis(2-chloroethyl)amine; 2,4-dinitro-3-phenyl-glutaronitrile Formula: C19H26Cl4N6O4 MolecularWeight: 544.25954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(CCl)NCCCl.C(CCl)NCCCl

Isomeric SMILES

C1=CC=C(C=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(CCl)NCCCl.C(CCl)NCCCl

InChI

InChI=1S/C11H8N4O4.2C4H9Cl2N/c12-6-9(14(16)17)11(10(7-13)15(18)19)8-4-2-1-3-5-8;2*5-1-3-7-4-2-6/h1-5,9-11H;2*7H,1-4H2