1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]triazole-4-carboxylate Formula: C17H11BrN3O4- MolecularWeight: 401.19094

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=C(N=NN3C4=CC(=CC=C4)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=C(N=NN3C4=CC(=CC=C4)Br)C(=O)[O-]

InChI

InChI=1S/C17H12BrN3O4/c18-10-4-3-5-11(8-10)21-16(15(17(22)23)19-20-21)14-9-24-12-6-1-2-7-13(12)25-14/h1-8,14H,9H2,(H,22,23)/p-1/t14-/m1/s1