ethyl 3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)indole-1-carboxylate

Systemtic Name: ethyl 3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)indole-1-carboxylate Openeye Name: ethyl 3-(1-cyano-2-ethoxy-2-oxo-ethyl)indole-1-carboxylate CAS Name: 3-(1-cyano-2-ethoxy-2-oxoethyl)-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-cyano-2-ethoxy-2-oxoethyl)indole-1-carboxylate Traditional Name: 3-(1-cyano-2-ethoxy-2-keto-ethyl)indole-1-carboxylic acid ethyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CN(C2=CC=CC=C21)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C#N)C1=CN(C2=CC=CC=C21)C(=O)OCC

InChI

InChI=1S/C16H16N2O4/c1-3-21-15(19)12(9-17)13-10-18(16(20)22-4-2)14-8-6-5-7-11(13)14/h5-8,10,12H,3-4H2,1-2H3