ethyl 1-(6-methoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)imidazol-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(6-methoxy-3-oxidanylidene-1,2-dihydroinden-2-yl)imidazol-1-ium-1-carboxylate Openeye Name: ethyl 1-(5-methoxy-1-oxo-indan-2-yl)imidazol-1-ium-1-carboxylate CAS Name: 1-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)-1-imidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)imidazol-1-ium-1-carboxylate Traditional Name: 1-(1-keto-5-methoxy-indan-2-yl)imidazol-1-ium-1-carboxylic acid ethyl ester Formula: C16H17N2O4+ MolecularWeight: 301.31718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C=CN=C1)C2CC3=C(C2=O)C=CC(=C3)OC

Isomeric SMILES

CCOC(=O)[N+]1(C=CN=C1)C2CC3=C(C2=O)C=CC(=C3)OC

InChI

InChI=1S/C16H17N2O4/c1-3-22-16(20)18(7-6-17-10-18)14-9-11-8-12(21-2)4-5-13(11)15(14)19/h4-8,10,14H,3,9H2,1-2H3/q+1