1-(4-ethoxy-3-nitro-phenyl)-2-[4-(phenylmethyl)iminopyridin-1-yl]ethanone hydrobromide

Systemtic Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[4-(phenylmethyl)iminopyridin-1-yl]ethanone hydrobromide Openeye Name: 2-(4-benzylimino-1-pyridyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide CAS Name: 1-(4-ethoxy-3-nitrophenyl)-2-[4-(phenylmethyl)imino-1-pyridinyl]ethanone hydrobromide IUPAC Name: 2-(4-benzyliminopyridin-1-yl)-1-(4-ethoxy-3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-(4-benzylimino-1-pyridyl)-1-(4-ethoxy-3-nitro-phenyl)ethanone hydrobromide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C=CC(=NCC3=CC=CC=C3)C=C2)[N+](=O)[O-].Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C=CC(=NCC3=CC=CC=C3)C=C2)[N+](=O)[O-].Br

InChI

InChI=1S/C22H21N3O4.BrH/c1-2-29-22-9-8-18(14-20(22)25(27)28)21(26)16-24-12-10-19(11-13-24)23-15-17-6-4-3-5-7-17;/h3-14H,2,15-16H2,1H3;1H