1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)CC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-5-8-19-13(3)10-15(14(19)4)17(21)11-24-18-7-6-12(2)9-16(18)20(22)23/h5-7,9-10H,1,8,11H2,2-4H3