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

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N2O5/c1-5-8-19-12(2)9-15(13(19)3)17(21)11-25-18-7-6-14(24-4)10-16(18)20(22)23/h6-7,9-10H,5,8,11H2,1-4H3