3-(3-bromanyl-4-methoxy-phenyl)-2-(3-nitrophenyl)-5-(phenylmethyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-2-(3-nitrophenyl)-5-(phenylmethyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Openeye Name: 5-benzyl-3-(3-bromo-4-methoxy-phenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione CAS Name: 3-(3-bromo-4-methoxyphenyl)-2-(3-nitrophenyl)-5-(phenylmethyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione IUPAC Name: 5-benzyl-3-(3-bromo-4-methoxyphenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione Traditional Name: 5-benzyl-3-(3-bromo-4-methoxy-phenyl)-2-(3-nitrophenyl)-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone Formula: C25H20BrN3O6 MolecularWeight: 538.3468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC(=CC=C5)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)ON2C5=CC(=CC=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C25H20BrN3O6/c1-34-20-11-10-16(12-19(20)26)22-21-23(35-28(22)17-8-5-9-18(13-17)29(32)33)25(31)27(24(21)30)14-15-6-3-2-4-7-15/h2-13,21-23H,14H2,1H3