(2S)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanedioic acid

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanedioic acid Openeye Name: (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanedioic acid CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]succinic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C14H13N3O6/c18-11(15-10(14(22)23)6-12(19)20)5-9-7-3-1-2-4-8(7)13(21)17-16-9/h1-4,10H,5-6H2,(H,15,18)(H,17,21)(H,19,20)(H,22,23)/t10-/m0/s1