1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(6-nitro-1-indazolyl)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C22H18N4O5/c1-13-7-18(14(2)25(13)16-5-6-21-22(9-16)31-12-30-21)20(27)11-24-19-8-17(26(28)29)4-3-15(19)10-23-24/h3-10H,11-12H2,1-2H3