phenethyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: phenethyl 5-nitro-2-oxidanyl-benzoate Openeye Name: phenethyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid phenethyl ester IUPAC Name: phenethyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid phenethyl ester Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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