3-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C19H13N4O4- MolecularWeight: 361.33092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C19H14N4O4/c1-11(17(24)21-15-9-5-2-6-12(15)10-20)23-18(25)14-8-4-3-7-13(14)16(22-23)19(26)27/h2-9,11H,1H3,(H,21,24)(H,26,27)/p-1/t11-/m1/s1