ethanoic acid; ethyl 4-(2-oxidanylidene-1H-imidazol-3-yl)benzoate

Systemtic Name: ethanoic acid; ethyl 4-(2-oxidanylidene-1H-imidazol-3-yl)benzoate Openeye Name: acetic acid; ethyl 4-(2-oxo-1H-imidazol-3-yl)benzoate CAS Name: acetic acid; 4-(2-oxo-1H-imidazol-3-yl)benzoic acid ethyl ester IUPAC Name: acetic acid; ethyl 4-(2-oxo-1H-imidazol-3-yl)benzoate Traditional Name: acetic acid; 4-(2-keto-4-imidazolin-1-yl)benzoic acid ethyl ester Formula: C14H16N2O5 MolecularWeight: 292.28724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=CNC2=O.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=CNC2=O.CC(=O)O

InChI

InChI=1S/C12H12N2O3.C2H4O2/c1-2-17-11(15)9-3-5-10(6-4-9)14-8-7-13-12(14)16;1-2(3)4/h3-8H,2H2,1H3,(H,13,16);1H3,(H,3,4)