2-fluoranyl-5-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid Openeye Name: 2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid CAS Name: 2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid IUPAC Name: 2-fluoro-5-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid Traditional Name: 2-fluoro-5-[(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]benzoic acid Formula: C16H15FN2O3 MolecularWeight: 302.300303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)CC3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C16H15FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h5-7H,1-4,8H2,(H,19,20)(H,21,22)