methyl 2-azanyl-3-[1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]propanoate hydrochloride

Systemtic Name: methyl 2-azanyl-3-[1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]propanoate hydrochloride Openeye Name: methyl 2-amino-3-(1,4-dioxo-2,3-dihydroisoquinolin-3-yl)propanoate hydrochloride CAS Name: 2-amino-3-(1,4-dioxo-2,3-dihydroisoquinolin-3-yl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-(1,4-dioxo-2,3-dihydroisoquinolin-3-yl)propanoate hydrochloride Traditional Name: 2-amino-3-(1,4-diketo-2,3-dihydroisoquinolin-3-yl)propionic acid methyl ester hydrochloride Formula: C13H15ClN2O4 MolecularWeight: 298.7222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1C(=O)C2=CC=CC=C2C(=O)N1)N.Cl

Isomeric SMILES

COC(=O)C(CC1C(=O)C2=CC=CC=C2C(=O)N1)N.Cl

InChI

InChI=1S/C13H14N2O4.ClH/c1-19-13(18)9(14)6-10-11(16)7-4-2-3-5-8(7)12(17)15-10;/h2-5,9-10H,6,14H2,1H3,(H,15,17);1H