3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C

InChI

InChI=1S/C20H19N3O4/c1-3-13-8-6-7-12(2)17(13)21-16(24)11-23-19(25)15-10-5-4-9-14(15)18(22-23)20(26)27/h4-10H,3,11H2,1-2H3,(H,21,24)(H,26,27)