(6S)-8-(5-nitropyridin-2-yl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide

Systemtic Name: (6S)-8-(5-nitropyridin-2-yl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide Openeye Name: (6S)-8-(5-nitro-2-pyridyl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide CAS Name: (6S)-8-(5-nitro-2-pyridinyl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide IUPAC Name: (6S)-8-(5-nitropyridin-2-yl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide Traditional Name: (6S)-8-(5-nitro-2-pyridyl)-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one hydrobromide Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C=CC(=O)C1N2C3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Br

Isomeric SMILES

C1[C@H](C2C=CC(=O)C1N2C3=NC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.Br

InChI

InChI=1S/C18H15N3O3.BrH/c22-17-8-7-15-14(12-4-2-1-3-5-12)10-16(17)20(15)18-9-6-13(11-19-18)21(23)24;/h1-9,11,14-16H,10H2;1H/t14-,15?,16?;/m0./s1