ethyl 4-(hydroxymethyl)-1-oxidanylidene-2H-phthalazine-6-carboxylate

Systemtic Name: ethyl 4-(hydroxymethyl)-1-oxidanylidene-2H-phthalazine-6-carboxylate Openeye Name: ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate CAS Name: 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate Traditional Name: 1-keto-4-methylol-2H-phthalazine-6-carboxylic acid ethyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)NN=C2CO

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)NN=C2CO

InChI

InChI=1S/C12H12N2O4/c1-2-18-12(17)7-3-4-8-9(5-7)10(6-15)13-14-11(8)16/h3-5,15H,2,6H2,1H3,(H,14,16)