2-(hydroxymethyl)-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-(hydroxymethyl)-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-(hydroxymethyl)-6-nitro-phenolate CAS Name: 2-(hydroxymethyl)-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-(hydroxymethyl)-6-nitrophenolate Traditional Name: 4-benzyl-2-methylol-6-nitro-phenolate Formula: C14H12NO4- MolecularWeight: 258.24938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4/c16-9-12-7-11(6-10-4-2-1-3-5-10)8-13(14(12)17)15(18)19/h1-5,7-8,16-17H,6,9H2/p-1