[(2S)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)OC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H16ClN3O5/c1-10(17(24)21-14-9-11(20)7-8-15(14)27-2)28-19(26)16-12-5-3-4-6-13(12)18(25)23-22-16/h3-10H,1-2H3,(H,21,24)(H,23,25)/t10-/m0/s1