1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5/c1-13-10-18(14(2)22-13)20(24)12-28-21-9-6-16(23(25)26)11-19(21)15-4-7-17(27-3)8-5-15/h4-11,22H,12H2,1-3H3