[4-(2-nitro-1-oxidanyl-ethyl)phenyl] benzoate

Systemtic Name: [4-(2-nitro-1-oxidanyl-ethyl)phenyl] benzoate Openeye Name: [4-(1-hydroxy-2-nitro-ethyl)phenyl] benzoate CAS Name: benzoic acid [4-(1-hydroxy-2-nitroethyl)phenyl] ester IUPAC Name: [4-(1-hydroxy-2-nitroethyl)phenyl] benzoate Traditional Name: benzoic acid [4-(1-hydroxy-2-nitro-ethyl)phenyl] ester Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C[N+](=O)[O-])O

InChI

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