4-[bis(2-chloroethyl)amino]-3-cyano-benzamide dihydrochloride

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide dihydrochloride Openeye Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide dihydrochloride CAS Name: 4-[bis(2-chloroethyl)amino]-3-cyanobenzamide dihydrochloride IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-cyanobenzamide dihydrochloride Traditional Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide dihydrochloride Formula: C12H15Cl4N3O MolecularWeight: 359.079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)C#N)N(CCCl)CCCl.Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)C#N)N(CCCl)CCCl.Cl.Cl

InChI

InChI=1S/C12H13Cl2N3O.2ClH/c13-3-5-17(6-4-14)11-2-1-9(12(16)18)7-10(11)8-15;;/h1-2,7H,3-6H2,(H2,16,18);2*1H