methyl (2E)-2-(2-methylisoquinolin-1-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-(2-methylisoquinolin-1-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-(2-methyl-1-isoquinolylidene)-3-oxo-butanoate CAS Name: (2E)-2-(2-methyl-1-isoquinolinylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-(2-methylisoquinolin-1-ylidene)-3-oxobutanoate Traditional Name: (2E)-3-keto-2-(2-methyl-1-isoquinolylidene)butyric acid methyl ester Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C=CN1C)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\1/C2=CC=CC=C2C=CN1C)/C(=O)OC

InChI

InChI=1S/C15H15NO3/c1-10(17)13(15(18)19-3)14-12-7-5-4-6-11(12)8-9-16(14)2/h4-9H,1-3H3/b14-13+