[4-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenyl] benzoate

Systemtic Name: [4-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenyl] benzoate Openeye Name: [3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenyl] benzoate CAS Name: benzoic acid [3,5-dihydroxy-4-[3-(4-nitrophenyl)-1-oxopropyl]phenyl] ester IUPAC Name: [3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenyl] benzoate Traditional Name: benzoic acid [3,5-dihydroxy-4-[3-(4-nitrophenyl)propanoyl]phenyl] ester Formula: C22H17NO7 MolecularWeight: 407.37288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)O)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)O)C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H17NO7/c24-18(11-8-14-6-9-16(10-7-14)23(28)29)21-19(25)12-17(13-20(21)26)30-22(27)15-4-2-1-3-5-15/h1-7,9-10,12-13,25-26H,8,11H2