7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methyl-chromen-2-one

Systemtic Name: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methyl-chromen-2-one Openeye Name: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methyl-chromen-2-one CAS Name: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methylchromen-2-one Traditional Name: 7-[bis(2-chloroethyl)aminomethyl]-5-methoxy-4-methyl-coumarin Formula: C16H19Cl2NO3 MolecularWeight: 344.23296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C(=CC(=C2)CN(CCCl)CCCl)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C(=CC(=C2)CN(CCCl)CCCl)OC

InChI

InChI=1S/C16H19Cl2NO3/c1-11-7-15(20)22-14-9-12(8-13(21-2)16(11)14)10-19(5-3-17)6-4-18/h7-9H,3-6,10H2,1-2H3