ethyl 4-[3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)quinoxalin-2-yl]oxybenzoate

Systemtic Name: ethyl 4-[3-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)quinoxalin-2-yl]oxybenzoate Openeye Name: ethyl 4-[3-(1-cyano-2-methoxy-2-oxo-ethyl)quinoxalin-2-yl]oxybenzoate CAS Name: 4-[[3-(1-cyano-2-methoxy-2-oxoethyl)-2-quinoxalinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-cyano-2-methoxy-2-oxoethyl)quinoxalin-2-yl]oxybenzoate Traditional Name: 4-[3-(1-cyano-2-keto-2-methoxy-ethyl)quinoxalin-2-yl]oxybenzoic acid ethyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

InChI

InChI=1S/C21H17N3O5/c1-3-28-20(25)13-8-10-14(11-9-13)29-19-18(15(12-22)21(26)27-2)23-16-6-4-5-7-17(16)24-19/h4-11,15H,3H2,1-2H3