(2S)-2-azanyl-3-[2,3-bis(oxidanylidene)-1-benzofuran-6-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2,3-bis(oxidanylidene)-1-benzofuran-6-yl]propanoic acid Openeye Name: (2S)-2-amino-3-(2,3-dioxobenzofuran-6-yl)propanoic acid CAS Name: (2S)-2-amino-3-(2,3-dioxo-6-benzofuranyl)propanoic acid IUPAC Name: (2S)-2-amino-3-(2,3-dioxo-1-benzofuran-6-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(2,3-diketocoumaran-6-yl)propionic acid Formula: C11H9NO5 MolecularWeight: 235.19286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(C(=O)O)N)OC(=O)C2=O

Isomeric SMILES

C1=CC2=C(C=C1C[C@@H](C(=O)O)N)OC(=O)C2=O

InChI

InChI=1S/C11H9NO5/c12-7(10(14)15)3-5-1-2-6-8(4-5)17-11(16)9(6)13/h1-2,4,7H,3,12H2,(H,14,15)/t7-/m0/s1