(2S)-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(5-methylisoxazol-3-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(5-methyl-3-isoxazolyl)-2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(5-methyl-1,2-oxazol-3-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-1-(5-methylisoxazol-3-yl)-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C19H12N3O6S- MolecularWeight: 410.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)N2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O6S/c1-10-8-14(20-28-10)21-16(11-4-2-5-12(9-11)22(26)27)15(18(24)19(21)25)17(23)13-6-3-7-29-13/h2-9,16,24H,1H3/p-1/t16-/m0/s1