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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-chloro-2-methoxyphenyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-(5-chloro-2-methoxy-benzyl)-4-keto-phthalazine-1-carboxylic acid Formula: C17H13ClN2O4 MolecularWeight: 344.74912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H13ClN2O4/c1-24-14-7-6-11(18)8-10(14)9-20-16(21)13-5-3-2-4-12(13)15(19-20)17(22)23/h2-8H,9H2,1H3,(H,22,23)