(3,4-dichlorophenyl)methyl 5-azanyl-4-oxidanylidene-pentanoate hydrochloride

Systemtic Name: (3,4-dichlorophenyl)methyl 5-azanyl-4-oxidanylidene-pentanoate hydrochloride Openeye Name: (3,4-dichlorophenyl)methyl 5-amino-4-oxo-pentanoate hydrochloride CAS Name: 5-amino-4-oxopentanoic acid (3,4-dichlorophenyl)methyl ester hydrochloride IUPAC Name: (3,4-dichlorophenyl)methyl 5-amino-4-oxopentanoate hydrochloride Traditional Name: 5-amino-4-keto-valeric acid (3,4-dichlorobenzyl) ester hydrochloride Formula: C12H14Cl3NO3 MolecularWeight: 326.60346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COC(=O)CCC(=O)CN)Cl)Cl.Cl

Isomeric SMILES

C1=CC(=C(C=C1COC(=O)CCC(=O)CN)Cl)Cl.Cl

InChI

InChI=1S/C12H13Cl2NO3.ClH/c13-10-3-1-8(5-11(10)14)7-18-12(17)4-2-9(16)6-15;/h1,3,5H,2,4,6-7,15H2;1H