6-[2-(1,3-benzodioxol-5-yl)-9-bromanyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)-9-bromanyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[2-(1,3-benzodioxol-5-yl)-9-bromo-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-2,3-dimethoxy-benzoic acid Formula: C26H21BrN2O7 MolecularWeight: 553.35814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)C(=O)O)OC

InChI

InChI=1S/C26H21BrN2O7/c1-32-21-8-5-15(23(26(30)31)24(21)33-2)25-29-18(16-10-14(27)4-7-19(16)36-25)11-17(28-29)13-3-6-20-22(9-13)35-12-34-20/h3-10,18,25H,11-12H2,1-2H3,(H,30,31)