ethyl 6-ethoxy-4-oxidanylidene-1H-1,8-naphthyridine-3-carboxylate dihydrate

Systemtic Name: ethyl 6-ethoxy-4-oxidanylidene-1H-1,8-naphthyridine-3-carboxylate dihydrate Openeye Name: ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate dihydrate CAS Name: 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid ethyl ester dihydrate IUPAC Name: ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate dihydrate Traditional Name: 6-ethoxy-4-keto-1H-1,8-naphthyridine-3-carboxylic acid ethyl ester dihydrate Formula: C13H18N2O6 MolecularWeight: 298.29182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=C2C(=C1)C(=O)C(=CN2)C(=O)OCC.O.O

Isomeric SMILES

CCOC1=CN=C2C(=C1)C(=O)C(=CN2)C(=O)OCC.O.O

InChI

InChI=1S/C13H14N2O4.2H2O/c1-3-18-8-5-9-11(16)10(13(17)19-4-2)7-15-12(9)14-6-8;;/h5-7H,3-4H2,1-2H3,(H,14,15,16);2*1H2