1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]-2-keto-5-nitro-nicotinamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=C(C=C(C3=O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-12-8-16(13(2)23(12)6-5-15-4-3-7-30-15)18(25)11-22-10-14(24(28)29)9-17(19(21)26)20(22)27/h3-4,7-10H,5-6,11H2,1-2H3,(H2,21,26)