1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c1-9-16(11(3)20)10(2)18-17(9)14(21)8-25-15-6-5-12(24-4)7-13(15)19(22)23/h5-7,18H,8H2,1-4H3