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

Systemtic Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one Openeye Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one CAS Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-4,4-dimethyl-5-nitro-2-hexanone IUPAC Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-4,4-dimethyl-5-nitrohexan-2-one Traditional Name: 6-[3-(4-iodophenyl)-1H-pyrrol-2-yl]-4,4-dimethyl-5-nitro-hexan-2-one Formula: C18H21IN2O3 MolecularWeight: 440.27541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN2O3/c1-12(22)11-18(2,3)17(21(23)24)10-16-15(8-9-20-16)13-4-6-14(19)7-5-13/h4-9,17,20H,10-11H2,1-3H3