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

Systemtic Name: 3-[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-9(13(22)18-16(26)19-17(2,3)4)21-14(23)11-8-6-5-7-10(11)12(20-21)15(24)25/h5-9H,1-4H3,(H,24,25)(H2,18,19,22,26)