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

Systemtic Name: 3-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]phthalazine-1-carboxylate Formula: C19H16N3O4- MolecularWeight: 350.34804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

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