[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H19N3O4/c1-9(13(20)17-16(2,3)4)23-15(22)12-10-7-5-6-8-11(10)14(21)19-18-12/h5-9H,1-4H3,(H,17,20)(H,19,21)/t9-/m1/s1