methyl 2-[(1-chloranylisoquinolin-3-yl)carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[(1-chloranylisoquinolin-3-yl)carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[(1-chloroisoquinoline-3-carbonyl)-methyl-amino]acetate CAS Name: 2-[[(1-chloro-3-isoquinolinyl)-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(1-chloroisoquinoline-3-carbonyl)-methylamino]acetate Traditional Name: 2-[(1-chloroisoquinoline-3-carbonyl)-methyl-amino]acetic acid methyl ester Formula: C14H13ClN2O3 MolecularWeight: 292.71762

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C14H13ClN2O3/c1-17(8-12(18)20-2)14(19)11-7-9-5-3-4-6-10(9)13(15)16-11/h3-7H,8H2,1-2H3