4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]butanoic acid

Systemtic Name: 4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]butanoic acid Openeye Name: 4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid CAS Name: 4-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]butanoic acid IUPAC Name: 4-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid Traditional Name: 4-[(4-keto-3H-phthalazine-1-carbonyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCCC(=O)O

InChI

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