sodium (3S,7aS)-2-(4-bromophenyl)-3-methoxy-7-methoxycarbonyl-5-oxidanylidene-7a-phenyl-1,3-dihydropyrrolo[1,2-c]imidazol-6-olate

Systemtic Name: sodium (3S,7aS)-2-(4-bromophenyl)-3-methoxy-7-methoxycarbonyl-5-oxidanylidene-7a-phenyl-1,3-dihydropyrrolo[1,2-c]imidazol-6-olate Openeye Name: sodium (3S,7aS)-2-(4-bromophenyl)-3-methoxy-7-methoxycarbonyl-5-oxo-7a-phenyl-1,3-dihydropyrrolo[1,2-c]imidazol-6-olate CAS Name: sodium (3S,7aS)-2-(4-bromophenyl)-3-methoxy-7-methoxycarbonyl-5-oxo-7a-phenyl-1,3-dihydropyrrolo[1,2-c]imidazol-6-olate IUPAC Name: sodium (3S,7aS)-2-(4-bromophenyl)-3-methoxy-7-methoxycarbonyl-5-oxo-7a-phenyl-1,3-dihydropyrrolo[1,2-c]imidazol-6-olate Traditional Name: sodium (3S,7aS)-2-(4-bromophenyl)-7-carbomethoxy-5-keto-3-methoxy-7a-phenyl-1,3-dihydropyrrol[1,2-c]imidazol-6-olate Formula: C21H18BrN2NaO5 MolecularWeight: 481.27179

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Descriptors Computed from Structure

Canonical SMILES:

COC1N(CC2(N1C(=O)C(=C2C(=O)OC)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)Br.[Na+]

Isomeric SMILES

CO[C@H]1N(C[C@]2(N1C(=O)C(=C2C(=O)OC)[O-])C3=CC=CC=C3)C4=CC=C(C=C4)Br.[Na+]

InChI

InChI=1S/C21H19BrN2O5.Na/c1-28-19(27)16-17(25)18(26)24-20(29-2)23(15-10-8-14(22)9-11-15)12-21(16,24)13-6-4-3-5-7-13;/h3-11,20,25H,12H2,1-2H3;/q;+1/p-1/t20-,21-;/m0./s1