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

Systemtic Name: 2-[[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]methyl]furan-3-carboxylic acid Openeye Name: 2-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]furan-3-carboxylic acid CAS Name: 2-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]-3-furancarboxylic acid IUPAC Name: 2-[(1,4-dioxo-3H-phthalazin-2-yl)methyl]furan-3-carboxylic acid Traditional Name: 2-[(1,4-diketo-3H-phthalazin-2-yl)methyl]-3-furoic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=C(C=CO3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC3=C(C=CO3)C(=O)O

InChI

InChI=1S/C14H10N2O5/c17-12-8-3-1-2-4-9(8)13(18)16(15-12)7-11-10(14(19)20)5-6-21-11/h1-6H,7H2,(H,15,17)(H,19,20)