3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: 3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-5-(4-ethoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: 3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-phenyl-5-p-phenetyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone Formula: C27H25BrN2O6 MolecularWeight: 553.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)Br)O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=C(C(=C5)Br)O)OCC

InChI

InChI=1S/C27H25BrN2O6/c1-3-34-19-12-10-17(11-13-19)29-26(32)22-23(16-14-20(28)24(31)21(15-16)35-4-2)30(36-25(22)27(29)33)18-8-6-5-7-9-18/h5-15,22-23,25,31H,3-4H2,1-2H3