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

Systemtic Name: methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(2-amino-2-oxo-ethyl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(2-amino-2-oxoethyl)-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-amino-2-oxoethyl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)N

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)N

InChI

InChI=1S/C13H13N3O4/c1-20-12(18)6-10-8-4-2-3-5-9(8)13(19)16(15-10)7-11(14)17/h2-5H,6-7H2,1H3,(H2,14,17)