dimethyl (E)-2-[1-(2-chloranylethanoylamino)-1H-isoquinolin-2-yl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-(2-chloranylethanoylamino)-1H-isoquinolin-2-yl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-[(2-chloroacetyl)amino]-1H-isoquinolin-2-yl]but-2-enedioate CAS Name: (E)-2-[1-[(2-chloro-1-oxoethyl)amino]-1H-isoquinolin-2-yl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-[(2-chloroacetyl)amino]-1H-isoquinolin-2-yl]but-2-enedioate Traditional Name: (E)-2-[1-[(2-chloroacetyl)amino]-1H-isoquinolin-2-yl]but-2-enedioic acid dimethyl ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N1C=CC2=CC=CC=C2C1NC(=O)CCl

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N1C=CC2=CC=CC=C2C1NC(=O)CCl

InChI

InChI=1S/C17H17ClN2O5/c1-24-15(22)9-13(17(23)25-2)20-8-7-11-5-3-4-6-12(11)16(20)19-14(21)10-18/h3-9,16H,10H2,1-2H3,(H,19,21)/b13-9+