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

Systemtic Name: 3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H13N4O6- MolecularWeight: 369.30832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(=O)NCC3=CC=CO3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC(=O)NCC3=CC=CO3)C(=O)[O-]

InChI

InChI=1S/C17H14N4O6/c22-13(19-17(26)18-8-10-4-3-7-27-10)9-21-15(23)12-6-2-1-5-11(12)14(20-21)16(24)25/h1-7H,8-9H2,(H,24,25)(H2,18,19,22,26)/p-1