1-cyanoethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: 1-cyanoethyl 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: 1-cyanoethyl 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid 1-cyanoethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C#N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C#N

InChI

InChI=1S/C18H21N3O3/c1-3-4-11-21-16-8-6-5-7-14(16)20-15(18(21)23)9-10-17(22)24-13(2)12-19/h5-8,13H,3-4,9-11H2,1-2H3