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

Systemtic Name: 3-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(3-cyanoanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(3-cyanoanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(3-cyanoanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(3-cyanoanilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N4O4/c19-9-11-4-3-5-12(8-11)20-15(23)10-22-17(24)14-7-2-1-6-13(14)16(21-22)18(25)26/h1-8H,10H2,(H,20,23)(H,25,26)