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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O5/c1-9(2)7-17-16(25)18-12(21)8-20-14(22)11-6-4-3-5-10(11)13(19-20)15(23)24/h3-6,9H,7-8H2,1-2H3,(H,23,24)(H2,17,18,21,25)/p-1