[2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-phenyl-7-(phenylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-[3-phenyl-7-(phenylmethylene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] ester IUPAC Name: [2-(7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-(7-benzal-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl)-2-keto-ethyl] ester Formula: C29H25BrN2O4 MolecularWeight: 545.4238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5

Isomeric SMILES

C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)COC(=O)C4=C(C=CC(=C4)Br)O)C5=CC=CC=C5

InChI

InChI=1S/C29H25BrN2O4/c30-22-14-15-25(33)24(17-22)29(35)36-18-26(34)32-28(20-10-5-2-6-11-20)23-13-7-12-21(27(23)31-32)16-19-8-3-1-4-9-19/h1-6,8-11,14-17,23,28,33H,7,12-13,18H2