3-[[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]methyl]benzoic acid

Systemtic Name: 3-[[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]methyl]benzoic acid Openeye Name: 3-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]benzoic acid CAS Name: 3-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]benzoic acid IUPAC Name: 3-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]benzoic acid Traditional Name: 3-[(1,4-diketo-3H-phthalazin-2-yl)methyl]benzoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H12N2O4/c19-14-12-6-1-2-7-13(12)15(20)18(17-14)9-10-4-3-5-11(8-10)16(21)22/h1-8H,9H2,(H,17,19)(H,21,22)