3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-aniline

Systemtic Name: 3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-aniline Openeye Name: 3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-aniline CAS Name: 3-[bis(2-chloroethyl)aminomethyl]-4-methoxyaniline IUPAC Name: 3-[bis(2-chloroethyl)aminomethyl]-4-methoxyaniline Traditional Name: (5-amino-2-methoxy-benzyl)-bis(2-chloroethyl)amine Formula: C12H18Cl2N2O MolecularWeight: 277.19012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)N)CN(CCCl)CCCl

InChI

InChI=1S/C12H18Cl2N2O/c1-17-12-3-2-11(15)8-10(12)9-16(6-4-13)7-5-14/h2-3,8H,4-7,9,15H2,1H3