[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H17N3O4/c1-11-7-9-13(10-8-11)20-17(23)12(2)26-19(25)16-14-5-3-4-6-15(14)18(24)22-21-16/h3-10,12H,1-2H3,(H,20,23)(H,22,24)/t12-/m0/s1