6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitro-hexan-2-one

Systemtic Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitro-hexan-2-one Openeye Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitro-hexan-2-one CAS Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitro-2-hexanone IUPAC Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitrohexan-2-one Traditional Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-1,1-dimethoxy-4,4-dimethyl-5-nitro-hexan-2-one Formula: C20H25IN2O5 MolecularWeight: 500.32737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(OC)OC)C(CC1=C(C=CN1)C2=CC=C(C=C2)I)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)C(OC)OC)C(CC1=C(C=CN1)C2=CC=C(C=C2)I)[N+](=O)[O-]

InChI

InChI=1S/C20H25IN2O5/c1-20(2,12-17(24)19(27-3)28-4)18(23(25)26)11-16-15(9-10-22-16)13-5-7-14(21)8-6-13/h5-10,18-19,22H,11-12H2,1-4H3