(phenylmethyl) 3-nitrobenzoate

Systemtic Name: (phenylmethyl) 3-nitrobenzoate Openeye Name: benzyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid benzyl ester Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c16-14(19-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9H,10H2