3-[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H15ClN4O4 MolecularWeight: 410.8105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C20H15ClN4O4/c21-13-5-3-6-14(11-13)24(10-4-9-22)17(26)12-25-19(27)16-8-2-1-7-15(16)18(23-25)20(28)29/h1-3,5-8,11H,4,10,12H2,(H,28,29)