[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H11BrN2O5S MolecularWeight: 423.23794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CC(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H11BrN2O5S/c17-13-6-5-12(25-13)11(20)8-24-14(21)7-19-16(23)10-4-2-1-3-9(10)15(22)18-19/h1-6H,7-8H2,(H,18,22)