2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoate

Systemtic Name: 2-[4-nitro-2-(phenylmethyl)phenoxy]ethanoate Openeye Name: 2-(2-benzyl-4-nitro-phenoxy)acetate CAS Name: 2-[4-nitro-2-(phenylmethyl)phenoxy]acetate IUPAC Name: 2-(2-benzyl-4-nitrophenoxy)acetate Traditional Name: 2-(2-benzyl-4-nitro-phenoxy)acetate Formula: C15H12NO5- MolecularWeight: 286.25948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO5/c17-15(18)10-21-14-7-6-13(16(19)20)9-12(14)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,17,18)/p-1