5-azanyl-2-[bis(2-chloroethyl)amino]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[bis(2-chloroethyl)amino]benzenecarbonitrile Openeye Name: 5-amino-2-[bis(2-chloroethyl)amino]benzonitrile CAS Name: 5-amino-2-[bis(2-chloroethyl)amino]benzonitrile IUPAC Name: 5-amino-2-[bis(2-chloroethyl)amino]benzonitrile Traditional Name: 5-amino-2-[bis(2-chloroethyl)amino]benzonitrile Formula: C11H13Cl2N3 MolecularWeight: 258.14702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C#N)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=C(C=C1N)C#N)N(CCCl)CCCl

InChI

InChI=1S/C11H13Cl2N3/c12-3-5-16(6-4-13)11-2-1-10(15)7-9(11)8-14/h1-2,7H,3-6,15H2