(2S)-2-(3-bromophenyl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-bromophenyl)-3-(furan-2-ylcarbonyl)-5-oxidanylidene-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-bromophenyl)-3-(furan-2-carbonyl)-5-oxo-1-(3-pyridylmethyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-bromophenyl)-3-[2-furanyl(oxo)methyl]-5-oxo-1-(3-pyridinylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-bromophenyl)-3-(furan-2-carbonyl)-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-bromophenyl)-4-(2-furoyl)-2-keto-1-(3-pyridylmethyl)-3-pyrrolin-3-olate Formula: C21H14BrN2O4- MolecularWeight: 438.25086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)Br)[C@H]2C(=C(C(=O)N2CC3=CN=CC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H15BrN2O4/c22-15-6-1-5-14(10-15)18-17(19(25)16-7-3-9-28-16)20(26)21(27)24(18)12-13-4-2-8-23-11-13/h1-11,18,26H,12H2/p-1/t18-/m0/s1