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

Systemtic Name: 3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H18ClN3O4 MolecularWeight: 435.85972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O4/c1-13-11-19(14(2)27(13)16-9-7-15(24)8-10-16)20(28)12-26-22(29)18-6-4-3-5-17(18)21(25-26)23(30)31/h3-11H,12H2,1-2H3,(H,30,31)