1-(azepan-1-yl)-2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-3-(4-nitrophenyl)propane-1,3-dione

Systemtic Name: 1-(azepan-1-yl)-2-(5-bromanyl-2-oxidanylidene-pyridin-1-yl)-3-(4-nitrophenyl)propane-1,3-dione Openeye Name: 1-(azepan-1-yl)-2-(5-bromo-2-oxo-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione CAS Name: 1-(1-azepanyl)-2-(5-bromo-2-oxo-1-pyridinyl)-3-(4-nitrophenyl)propane-1,3-dione IUPAC Name: 1-(azepan-1-yl)-2-(5-bromo-2-oxopyridin-1-yl)-3-(4-nitrophenyl)propane-1,3-dione Traditional Name: 1-(azepan-1-yl)-2-(5-bromo-2-keto-1-pyridyl)-3-(4-nitrophenyl)propane-1,3-dione Formula: C20H20BrN3O5 MolecularWeight: 462.2939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O5/c21-15-7-10-17(25)23(13-15)18(20(27)22-11-3-1-2-4-12-22)19(26)14-5-8-16(9-6-14)24(28)29/h5-10,13,18H,1-4,11-12H2