3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-11-7-6-8-12(2)16(11)21-18(24)13(3)23-19(25)15-10-5-4-9-14(15)17(22-23)20(26)27/h4-10,13H,1-3H3,(H,21,24)(H,26,27)