3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl]phthalazine-1-carboxylic acid Formula: C20H16N4O5 MolecularWeight: 392.36484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C20H16N4O5/c1-2-28-15-10-6-5-9-14(15)18-21-16(29-23-18)11-24-19(25)13-8-4-3-7-12(13)17(22-24)20(26)27/h3-10H,2,11H2,1H3,(H,26,27)