3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoate

Systemtic Name: 3-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoate Openeye Name: 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanoate IUPAC Name: 3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-11(14-6-5-12(18)19)7-10-8-3-1-2-4-9(8)13(20)16-15-10/h1-4H,5-7H2,(H,14,17)(H,16,20)(H,18,19)/p-1