N-[2-(4-bromophenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-bromophenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-bromophenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-bromophenyl)-5-benzotriazolyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-bromophenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-bromophenyl)benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C21H15BrN4O3/c22-14-2-5-16(6-3-14)26-24-17-7-4-15(12-18(17)25-26)23-21(27)13-1-8-19-20(11-13)29-10-9-28-19/h1-8,11-12H,9-10H2,(H,23,27)