ethyl 2-[3-(chloromethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(chloromethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(chloromethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(chloromethyl)-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(chloromethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(chloromethyl)-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CCl

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CCl

InChI

InChI=1S/C13H13ClN2O3/c1-2-19-12(17)7-11-9-5-3-4-6-10(9)13(18)16(8-14)15-11/h3-6H,2,7-8H2,1H3