3-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(tert-butylcarbamoylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C16H17N4O5- MolecularWeight: 345.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)[O-]

InChI

InChI=1S/C16H18N4O5/c1-16(2,3)18-15(25)17-11(21)8-20-13(22)10-7-5-4-6-9(10)12(19-20)14(23)24/h4-7H,8H2,1-3H3,(H,23,24)(H2,17,18,21,25)/p-1