3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-(5-acetyl-2-ethoxy-benzyl)-4-keto-phthalazine-1-carboxylate Formula: C20H17N2O5- MolecularWeight: 365.35938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-3-27-17-9-8-13(12(2)23)10-14(17)11-22-19(24)16-7-5-4-6-15(16)18(21-22)20(25)26/h4-10H,3,11H2,1-2H3,(H,25,26)/p-1