7-[bis(2-chloroethyl)aminomethyl]chromen-2-one hydrochloride

Systemtic Name: 7-[bis(2-chloroethyl)aminomethyl]chromen-2-one hydrochloride Openeye Name: 7-[bis(2-chloroethyl)aminomethyl]chromen-2-one hydrochloride CAS Name: 7-[bis(2-chloroethyl)aminomethyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 7-[bis(2-chloroethyl)aminomethyl]chromen-2-one hydrochloride Traditional Name: 7-[bis(2-chloroethyl)aminomethyl]coumarin hydrochloride Formula: C14H16Cl3NO2 MolecularWeight: 336.64134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC(=O)O2)CN(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=O)O2)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C14H15Cl2NO2.ClH/c15-5-7-17(8-6-16)10-11-1-2-12-3-4-14(18)19-13(12)9-11;/h1-4,9H,5-8,10H2;1H