1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-(3-nitrophenoxy)ethanone Openeye Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-nitrophenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(3-nitrophenoxy)ethanone Traditional Name: 1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-nitrophenoxy)ethanone Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-11(2)18-12(3)8-16(13(18)4)17(20)10-23-15-7-5-6-14(9-15)19(21)22/h5-9,11H,10H2,1-4H3