3-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(p-tolylmethylamino)ethyl]phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[(4-methylbenzyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H17N3O4/c1-12-6-8-13(9-7-12)10-20-16(23)11-22-18(24)15-5-3-2-4-14(15)17(21-22)19(25)26/h2-9H,10-11H2,1H3,(H,20,23)(H,25,26)