[2-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenyl] benzoate

Systemtic Name: [2-[3-(4-nitrophenyl)propanoyl]-3,5-bis(oxidanyl)phenyl] benzoate Openeye Name: [3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] benzoate CAS Name: benzoic acid [3,5-dihydroxy-2-[3-(4-nitrophenyl)-1-oxopropyl]phenyl] ester IUPAC Name: [3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] benzoate Traditional Name: benzoic acid [3,5-dihydroxy-2-[3-(4-nitrophenyl)propanoyl]phenyl] ester Formula: C22H17NO7 MolecularWeight: 407.37288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2C(=O)CCC3=CC=C(C=C3)[N+](=O)[O-])O)O

InChI

InChI=1S/C22H17NO7/c24-17-12-19(26)21(20(13-17)30-22(27)15-4-2-1-3-5-15)18(25)11-8-14-6-9-16(10-7-14)23(28)29/h1-7,9-10,12-13,24,26H,8,11H2