2-[[hydroxymethyl-[(5-nitro-2-oxidanidyl-phenyl)methyl]azaniumyl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[hydroxymethyl-[(5-nitro-2-oxidanidyl-phenyl)methyl]azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[hydroxymethyl-[(5-nitro-2-oxido-phenyl)methyl]ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[hydroxymethyl-[(5-nitro-2-oxidophenyl)methyl]ammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[hydroxymethyl-[(5-nitro-2-oxidophenyl)methyl]azaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[methylol-(5-nitro-2-oxido-benzyl)ammonio]methyl]-4-nitro-phenolate Formula: C15H14N3O7- MolecularWeight: 348.28756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C[NH+](CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CO)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C[NH+](CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CO)[O-]

InChI

InChI=1S/C15H15N3O7/c19-9-16(7-10-5-12(17(22)23)1-3-14(10)20)8-11-6-13(18(24)25)2-4-15(11)21/h1-6,19-21H,7-9H2/p-1