2-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(3-bromanylphenoxy)ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-(3-bromophenoxy)-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(3-bromophenoxy)acetyl]amino]methyl]-4-nitro-phenolate Formula: C15H12BrN2O5- MolecularWeight: 380.17018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O5/c16-11-2-1-3-13(7-11)23-9-15(20)17-8-10-6-12(18(21)22)4-5-14(10)19/h1-7,19H,8-9H2,(H,17,20)/p-1