ethyl 2-(2-azanyl-3-cyano-quinolin-4-yl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(2-azanyl-3-cyano-quinolin-4-yl)carbonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(2-amino-3-cyano-quinoline-4-carbonyl)-3-oxo-butanoate CAS Name: 2-[(2-amino-3-cyano-4-quinolinyl)-oxomethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-3-cyanoquinoline-4-carbonyl)-3-oxobutanoate Traditional Name: 2-(2-amino-3-cyano-quinoline-4-carbonyl)-3-keto-butyric acid ethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)C(=O)C1=C(C(=NC2=CC=CC=C21)N)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)C)C(=O)C1=C(C(=NC2=CC=CC=C21)N)C#N

InChI

InChI=1S/C17H15N3O4/c1-3-24-17(23)13(9(2)21)15(22)14-10-6-4-5-7-12(10)20-16(19)11(14)8-18/h4-7,13H,3H2,1-2H3,(H2,19,20)