4-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]-3-nitro-benzoic acid

Systemtic Name: 4-[(4-ethanoyl-3-oxidanyl-phenoxy)methyl]-3-nitro-benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-phenoxy)methyl]-3-nitro-benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxyphenoxy)methyl]-3-nitrobenzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxyphenoxy)methyl]-3-nitrobenzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-phenoxy)methyl]-3-nitro-benzoic acid Formula: C16H13NO7 MolecularWeight: 331.27692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C16H13NO7/c1-9(18)13-5-4-12(7-15(13)19)24-8-11-3-2-10(16(20)21)6-14(11)17(22)23/h2-7,19H,8H2,1H3,(H,20,21)