1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(2-nitrophenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(2-nitrophenoxy)ethanone Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-11-9-13(12(2)19(11)17-18-7-8-25-17)15(21)10-24-16-6-4-3-5-14(16)20(22)23/h3-9H,10H2,1-2H3