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

Systemtic Name: 4-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate Openeye Name: 4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoate IUPAC Name: 4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate Traditional Name: 4-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]butyrate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c18-12(15-7-3-6-13(19)20)8-11-9-4-1-2-5-10(9)14(21)17-16-11/h1-2,4-5H,3,6-8H2,(H,15,18)(H,17,21)(H,19,20)/p-1