3-[(2R)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[(2R)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[(2R)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[(2R)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[(2R)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[(5R)-3-hydroxy-2-keto-5-(3-nitrophenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoic acid Formula: C26H18N2O7 MolecularWeight: 470.43032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N([C@@H]2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C26H18N2O7/c29-21(13-12-16-6-2-1-3-7-16)22-23(17-8-4-11-20(14-17)28(34)35)27(25(31)24(22)30)19-10-5-9-18(15-19)26(32)33/h1-15,23,30H,(H,32,33)/b13-12+/t23-/m1/s1