3-[(5-ethanoyl-2-methoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(5-acetyl-2-methoxy-benzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H16N2O5/c1-11(22)12-7-8-16(26-2)13(9-12)10-21-18(23)15-6-4-3-5-14(15)17(20-21)19(24)25/h3-9H,10H2,1-2H3,(H,24,25)