(2S)-1-(azepan-1-yl)-3-(3-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione

Systemtic Name: (2S)-1-(azepan-1-yl)-3-(3-nitrophenyl)-2-(2-oxidanylidenepyridin-1-yl)propane-1,3-dione Openeye Name: (2S)-1-(azepan-1-yl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridyl)propane-1,3-dione CAS Name: (2S)-1-(1-azepanyl)-3-(3-nitrophenyl)-2-(2-oxo-1-pyridinyl)propane-1,3-dione IUPAC Name: (2S)-1-(azepan-1-yl)-3-(3-nitrophenyl)-2-(2-oxopyridin-1-yl)propane-1,3-dione Traditional Name: (2S)-1-(azepan-1-yl)-2-(2-keto-1-pyridyl)-3-(3-nitrophenyl)propane-1,3-dione Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC=CC3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C=CC=CC3=O

InChI

InChI=1S/C20H21N3O5/c24-17-10-3-6-13-22(17)18(20(26)21-11-4-1-2-5-12-21)19(25)15-8-7-9-16(14-15)23(27)28/h3,6-10,13-14,18H,1-2,4-5,11-12H2/t18-/m0/s1