2-[(2-chloranylethanoylamino)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(2-chloranylethanoylamino)methyl]-4-nitro-phenolate Openeye Name: 2-[[(2-chloroacetyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[(2-chloro-1-oxoethyl)amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-chloroacetyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(2-chloroacetyl)amino]methyl]-4-nitro-phenolate Formula: C9H8ClN2O4- MolecularWeight: 243.62382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CCl)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CNC(=O)CCl)[O-]

InChI

InChI=1S/C9H9ClN2O4/c10-4-9(14)11-5-6-3-7(12(15)16)1-2-8(6)13/h1-3,13H,4-5H2,(H,11,14)/p-1