3-[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

Isomeric SMILES

CC(C(=O)NC(C)(C)C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

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