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

Systemtic Name: 3-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H12N4O5 MolecularWeight: 388.33308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(OC4=CC=CC=C43)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(OC4=CC=CC=C43)C#N)C(=O)O

InChI

InChI=1S/C20H12N4O5/c21-9-15-17(13-7-3-4-8-14(13)29-15)22-16(25)10-24-19(26)12-6-2-1-5-11(12)18(23-24)20(27)28/h1-8H,10H2,(H,22,25)(H,27,28)