3-[(E)-but-2-enyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(E)-but-2-enyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(E)-but-2-enyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(E)-but-2-enyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(E)-but-2-enyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(E)-but-2-enyl]-4-keto-phthalazine-1-carboxylic acid Formula: C13H12N2O3 MolecularWeight: 244.24598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

C/C=C/CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C13H12N2O3/c1-2-3-8-15-12(16)10-7-5-4-6-9(10)11(14-15)13(17)18/h2-7H,8H2,1H3,(H,17,18)/b3-2+