3-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H14N4O4 MolecularWeight: 362.33886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H14N4O4/c1-11(17(24)21-15-9-5-2-6-12(15)10-20)23-18(25)14-8-4-3-7-13(14)16(22-23)19(26)27/h2-9,11H,1H3,(H,21,24)(H,26,27)