(3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-ylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-ylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-ylamino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-ylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(1H-1,2,4-triazol-5-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)NC3=NC=NN3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=NC=NN3)OC

InChI

InChI=1S/C12H12N4O4/c1-18-7-4-3-6-8(9(7)19-2)11(17)20-10(6)15-12-13-5-14-16-12/h3-5,10H,1-2H3,(H2,13,14,15,16)/t10-/m0/s1