1,1-dimethoxy-4,4-dimethyl-5-nitro-6-(4-pyridin-4-yl-1H-pyrrol-2-yl)hexan-2-one

Systemtic Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-(4-pyridin-4-yl-1H-pyrrol-2-yl)hexan-2-one Openeye Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-[4-(4-pyridyl)-1H-pyrrol-2-yl]hexan-2-one CAS Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-(4-pyridin-4-yl-1H-pyrrol-2-yl)-2-hexanone IUPAC Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-(4-pyridin-4-yl-1H-pyrrol-2-yl)hexan-2-one Traditional Name: 1,1-dimethoxy-4,4-dimethyl-5-nitro-6-[4-(4-pyridyl)-1H-pyrrol-2-yl]hexan-2-one Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-19(2,11-16(23)18(26-3)27-4)17(22(24)25)10-15-9-14(12-21-15)13-5-7-20-8-6-13/h5-9,12,17-18,21H,10-11H2,1-4H3