ethyl (2E)-2-hydroxyimino-3-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate

Systemtic Name: ethyl (2E)-2-hydroxyimino-3-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Openeye Name: ethyl (2E)-3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyimino-propanoate CAS Name: (2E)-3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyiminopropanoic acid ethyl ester IUPAC Name: ethyl (2E)-3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyiminopropanoate Traditional Name: (2E)-3-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroximino-propionic acid ethyl ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NO)CN1CCC2=CC(=C(C=C2C1C)O)O

Isomeric SMILES

CCOC(=O)/C(=N/O)/CN1CCC2=CC(=C(C=C2C1C)O)O

InChI

InChI=1S/C15H20N2O5/c1-3-22-15(20)12(16-21)8-17-5-4-10-6-13(18)14(19)7-11(10)9(17)2/h6-7,9,18-19,21H,3-5,8H2,1-2H3/b16-12+