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

Systemtic Name: 6-[bis(2-chloroethyl)aminomethyl]-7-methoxy-4-methyl-chromen-2-one hydrochloride Openeye Name: 6-[bis(2-chloroethyl)aminomethyl]-7-methoxy-4-methyl-chromen-2-one hydrochloride CAS Name: 6-[bis(2-chloroethyl)aminomethyl]-7-methoxy-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-[bis(2-chloroethyl)aminomethyl]-7-methoxy-4-methylchromen-2-one hydrochloride Traditional Name: 6-[bis(2-chloroethyl)aminomethyl]-7-methoxy-4-methyl-coumarin hydrochloride Formula: C16H20Cl3NO3 MolecularWeight: 380.6939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CN(CCCl)CCCl)OC.Cl

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CN(CCCl)CCCl)OC.Cl

InChI

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