methyl 3-(3-imidazol-1-ylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(3-imidazol-1-ylphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(3-imidazol-1-ylphenyl)-3-oxo-propanoate CAS Name: 3-[3-(1-imidazolyl)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(3-imidazol-1-ylphenyl)-3-oxopropanoate Traditional Name: 3-(3-imidazol-1-ylphenyl)-3-keto-propionic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC(=CC=C1)N2C=CN=C2

Isomeric SMILES

COC(=O)CC(=O)C1=CC(=CC=C1)N2C=CN=C2

InChI

InChI=1S/C13H12N2O3/c1-18-13(17)8-12(16)10-3-2-4-11(7-10)15-6-5-14-9-15/h2-7,9H,8H2,1H3