3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H19N3O4/c1-14-12-19(15(2)26(14)16-8-4-3-5-9-16)20(27)13-25-22(28)18-11-7-6-10-17(18)21(24-25)23(29)30/h3-12H,13H2,1-2H3,(H,29,30)