methyl 4-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[4-(cyanomethyl)anilino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[4-(cyanomethyl)anilino]-2-keto-ethoxy]benzoic acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H16N2O4/c1-23-18(22)14-4-8-16(9-5-14)24-12-17(21)20-15-6-2-13(3-7-15)10-11-19/h2-9H,10,12H2,1H3,(H,20,21)