ethyl 3-[(3-bromanylisoquinolin-4-yl)amino]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[(3-bromanylisoquinolin-4-yl)amino]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[(3-bromo-4-isoquinolyl)amino]-3-oxo-propanoate CAS Name: 3-[(3-bromo-4-isoquinolinyl)amino]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromoisoquinolin-4-yl)amino]-3-oxopropanoate Traditional Name: 3-[(3-bromo-4-isoquinolyl)amino]-3-keto-propionic acid ethyl ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(N=CC2=CC=CC=C21)Br

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(N=CC2=CC=CC=C21)Br

InChI

InChI=1S/C14H13BrN2O3/c1-2-20-12(19)7-11(18)17-13-10-6-4-3-5-9(10)8-16-14(13)15/h3-6,8H,2,7H2,1H3,(H,17,18)