N-[(4-bromophenyl)methoxy]-3-(1H-imidazol-3-ium-3-yl)-2,3-dihydrochromen-4-imine nitrate

Systemtic Name: N-[(4-bromophenyl)methoxy]-3-(1H-imidazol-3-ium-3-yl)-2,3-dihydrochromen-4-imine nitrate Openeye Name: N-[(4-bromophenyl)methoxy]-3-(1H-imidazol-3-ium-3-yl)chroman-4-imine nitrate CAS Name: N-[(4-bromophenyl)methoxy]-3-(1H-imidazol-3-ium-3-yl)-3,4-dihydro-2H-1-benzopyran-4-imine nitrate IUPAC Name: N-[(4-bromophenyl)methoxy]-3-(1H-imidazol-3-ium-3-yl)-2,3-dihydrochromen-4-imine nitrate Traditional Name: (Z)-(4-bromobenzyl)oxy-[3-(1H-imidazol-3-ium-3-yl)chroman-4-ylidene]amine nitrate Formula: C19H17BrN4O5 MolecularWeight: 461.26608

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NOCC2=CC=C(C=C2)Br)C3=CC=CC=C3O1)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

Isomeric SMILES

C1C(/C(=N\OCC2=CC=C(C=C2)Br)/C3=CC=CC=C3O1)[N+]4=CNC=C4.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H16BrN3O2.NO3/c20-15-7-5-14(6-8-15)11-25-22-19-16-3-1-2-4-18(16)24-12-17(19)23-10-9-21-13-23;2-1(3)4/h1-10,13,17H,11-12H2;/q;-1/p+1/b22-19-;