2-chloroethyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate

Systemtic Name: 2-chloroethyl 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanoate Openeye Name: 2-chloroethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)propionic acid 2-chloroethyl ester Formula: C13H13ClN2O4 MolecularWeight: 296.70632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)OCCCl

InChI

InChI=1S/C13H13ClN2O4/c14-6-8-20-11(17)5-7-16-13(19)10-4-2-1-3-9(10)12(18)15-16/h1-4H,5-8H2,(H,15,18)