1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(2-methoxy-5-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-methoxy-5-nitro-phenoxy)ethanone Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-5-8-19-12(2)9-15(13(19)3)16(21)11-25-18-10-14(20(22)23)6-7-17(18)24-4/h5-7,9-10H,1,8,11H2,2-4H3