(2R)-2-(4-methyl-2-oxidanylidene-pyridin-1-yl)-1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)propane-1,3-dione

Systemtic Name: (2R)-2-(4-methyl-2-oxidanylidene-pyridin-1-yl)-1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)propane-1,3-dione Openeye Name: (2R)-2-(4-methyl-2-oxo-1-pyridyl)-1-(4-methyl-1-piperidyl)-3-(3-nitrophenyl)propane-1,3-dione CAS Name: (2R)-2-(4-methyl-2-oxo-1-pyridinyl)-1-(4-methyl-1-piperidinyl)-3-(3-nitrophenyl)propane-1,3-dione IUPAC Name: (2R)-2-(4-methyl-2-oxopyridin-1-yl)-1-(4-methylpiperidin-1-yl)-3-(3-nitrophenyl)propane-1,3-dione Traditional Name: (2R)-2-(2-keto-4-methyl-1-pyridyl)-1-(4-methylpiperidino)-3-(3-nitrophenyl)propane-1,3-dione Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC(=CC3=O)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC(=CC3=O)C

InChI

InChI=1S/C21H23N3O5/c1-14-6-9-22(10-7-14)21(27)19(23-11-8-15(2)12-18(23)25)20(26)16-4-3-5-17(13-16)24(28)29/h3-5,8,11-14,19H,6-7,9-10H2,1-2H3/t19-/m1/s1