2-(4-cyanophenoxy)ethyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid 2-(4-cyanophenoxy)ethyl ester Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H14N2O4/c20-12-13-5-7-15(8-6-13)24-9-10-25-19(23)17-11-14-3-1-2-4-16(14)18(22)21-17/h1-8,11H,9-10H2,(H,21,22)