(2S)-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Openeye Name: (2S)-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate CAS Name: (2S)-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(2-hydroxyethyl)-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-4-olate Traditional Name: (5S)-1-(2-hydroxyethyl)-2-keto-5-(3-nitrophenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-3-olate Formula: C21H17N2O6- MolecularWeight: 393.36948

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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-])CCO)[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-])CCO)[O-]

InChI

InChI=1S/C21H18N2O6/c24-12-11-22-19(15-7-4-8-16(13-15)23(28)29)18(20(26)21(22)27)17(25)10-9-14-5-2-1-3-6-14/h1-10,13,19,24,26H,11-12H2/p-1/b10-9+/t19-/m0/s1