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

Systemtic Name: 2-chloroethyl 3-[1,4-bis(oxidanylidene)phthalazin-2-ium-2-yl]propanoate Openeye Name: 2-chloroethyl 3-(1,4-dioxophthalazin-2-ium-2-yl)propanoate CAS Name: 3-(1,4-dioxo-2-phthalazin-2-iumyl)propanoic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 3-(1,4-dioxophthalazin-2-ium-2-yl)propanoate Traditional Name: 3-(1,4-diketophthalazin-2-ium-2-yl)propionic acid 2-chloroethyl ester Formula: C13H12ClN2O4+ MolecularWeight: 295.69838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CCC(=O)OCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CCC(=O)OCCCl

InChI

InChI=1S/C13H12ClN2O4/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/q+1