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

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide Openeye Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide CAS Name: 4-[bis(2-chloroethyl)amino]-3-cyanobenzamide IUPAC Name: 4-[bis(2-chloroethyl)amino]-3-cyanobenzamide Traditional Name: 4-[bis(2-chloroethyl)amino]-3-cyano-benzamide Formula: C12H13Cl2N3O MolecularWeight: 286.15712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2N3O/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)