N-[bis(2-chloroethyl)aminomethyl]-3-chloranyl-benzamide

Systemtic Name: N-[bis(2-chloroethyl)aminomethyl]-3-chloranyl-benzamide Openeye Name: N-[bis(2-chloroethyl)aminomethyl]-3-chloro-benzamide CAS Name: N-[bis(2-chloroethyl)aminomethyl]-3-chlorobenzamide IUPAC Name: N-[bis(2-chloroethyl)aminomethyl]-3-chlorobenzamide Traditional Name: N-[bis(2-chloroethyl)aminomethyl]-3-chloro-benzamide Formula: C12H15Cl3N2O MolecularWeight: 309.6193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NCN(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NCN(CCCl)CCCl

InChI

InChI=1S/C12H15Cl3N2O/c13-4-6-17(7-5-14)9-16-12(18)10-2-1-3-11(15)8-10/h1-3,8H,4-7,9H2,(H,16,18)