1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-methyl-2-nitropyridin-3-yl)oxyethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[(6-methyl-2-nitro-3-pyridyl)oxy]ethanone Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S/c1-12-6-7-18(19(20-12)22(24)25)26-11-17(23)16-9-13(2)21(14(16)3)10-15-5-4-8-27-15/h4-9H,10-11H2,1-3H3