(3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(1,2,4-triazol-1-ylamino)phthalide Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NN3C=NC=N3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NN3C=NC=N3)OC

InChI

InChI=1S/C12H12N4O4/c1-18-8-4-3-7-9(10(8)19-2)12(17)20-11(7)15-16-6-13-5-14-16/h3-6,11,15H,1-2H3/t11-/m0/s1