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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C(C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-13-8-17(14(2)23(13)15-4-6-21-22(9-15)31-12-30-21)19(25)11-29-20-7-5-16(28-3)10-18(20)24(26)27/h4-10H,11-12H2,1-3H3