4-[(E)-2-(1-oxidanylidene-2H-phthalazin-6-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1-oxidanylidene-2H-phthalazin-6-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(1-oxo-2H-phthalazin-6-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(1-keto-2H-phthalazin-6-yl)vinyl]benzoic acid Formula: C17H12N2O3 MolecularWeight: 292.28878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=CC3=C(C=C2)C(=O)NN=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC3=C(C=C2)C(=O)NN=C3)C(=O)O

InChI

InChI=1S/C17H12N2O3/c20-16-15-8-5-12(9-14(15)10-18-19-16)2-1-11-3-6-13(7-4-11)17(21)22/h1-10H,(H,19,20)(H,21,22)/b2-1+