3-[4-nitro-2-(phenylmethyl)phenoxy]propanoate

Systemtic Name: 3-[4-nitro-2-(phenylmethyl)phenoxy]propanoate Openeye Name: 3-(2-benzyl-4-nitro-phenoxy)propanoate CAS Name: 3-[4-nitro-2-(phenylmethyl)phenoxy]propanoate IUPAC Name: 3-(2-benzyl-4-nitrophenoxy)propanoate Traditional Name: 3-(2-benzyl-4-nitro-phenoxy)propionate Formula: C16H14NO5- MolecularWeight: 300.28606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c18-16(19)8-9-22-15-7-6-14(17(20)21)11-13(15)10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,18,19)/p-1