2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-5-(3-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H15N3O5S/c25-19(16-7-3-9-30-16)17-18(14-5-1-6-15(10-14)24(28)29)23(21(27)20(17)26)12-13-4-2-8-22-11-13/h1-11,18,26H,12H2