methyl 3-(4-imidazol-1-ylphenyl)-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-(4-imidazol-1-ylphenyl)-3-oxidanylidene-propanoate Openeye Name: methyl 3-(4-imidazol-1-ylphenyl)-3-oxo-propanoate CAS Name: 3-[4-(1-imidazolyl)phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-(4-imidazol-1-ylphenyl)-3-oxopropanoate Traditional Name: 3-(4-imidazol-1-ylphenyl)-3-keto-propionic acid methyl ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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