[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

C[C@@H](C(=O)NCC=C)OC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C17H19N3O4/c1-4-9-18-16(22)11(2)24-15(21)10-14-12-7-5-6-8-13(12)17(23)20(3)19-14/h4-8,11H,1,9-10H2,2-3H3,(H,18,22)/t11-/m0/s1