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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c25-19(16-5-2-12-31-16)17-18(14-3-1-4-15(13-14)24(28)29)23(21(27)20(17)26)7-6-22-8-10-30-11-9-22/h1-5,12-13,18,26H,6-11H2