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

Systemtic Name: 1,1-dimethoxy-4,4-dimethyl-6-[3-(4-methylphenyl)-1H-pyrrol-2-yl]-5-nitro-hexan-2-one Openeye Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-[3-(p-tolyl)-1H-pyrrol-2-yl]hexan-2-one CAS Name: 1,1-dimethoxy-4,4-dimethyl-6-[3-(4-methylphenyl)-1H-pyrrol-2-yl]-5-nitro-2-hexanone IUPAC Name: 1,1-dimethoxy-4,4-dimethyl-6-[3-(4-methylphenyl)-1H-pyrrol-2-yl]-5-nitrohexan-2-one Traditional Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-[3-(p-tolyl)-1H-pyrrol-2-yl]hexan-2-one Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NC=C2)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NC=C2)CC(C(C)(C)CC(=O)C(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5/c1-14-6-8-15(9-7-14)16-10-11-22-17(16)12-19(23(25)26)21(2,3)13-18(24)20(27-4)28-5/h6-11,19-20,22H,12-13H2,1-5H3