3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H11ClN4O4 MolecularWeight: 382.75734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=C(C=C3)C#N)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=C(C=C3)C#N)Cl)C(=O)O

InChI

InChI=1S/C18H11ClN4O4/c19-14-7-11(6-5-10(14)8-20)21-15(24)9-23-17(25)13-4-2-1-3-12(13)16(22-23)18(26)27/h1-7H,9H2,(H,21,24)(H,26,27)