2-[[4-(4-bromanylphenoxy)butanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(4-bromanylphenoxy)butanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(4-bromophenoxy)butanoylamino]methyl]-4-nitro-phenolate CAS Name: 2-[[[4-(4-bromophenoxy)-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(4-bromophenoxy)butanoylamino]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(4-bromophenoxy)butanoylamino]methyl]-4-nitro-phenolate Formula: C17H16BrN2O5- MolecularWeight: 408.22334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Br

InChI

InChI=1S/C17H17BrN2O5/c18-13-3-6-15(7-4-13)25-9-1-2-17(22)19-11-12-10-14(20(23)24)5-8-16(12)21/h3-8,10,21H,1-2,9,11H2,(H,19,22)/p-1