2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid CAS Name: 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 5-hydroxy-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid Formula: C16H14N2O7 MolecularWeight: 346.29156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7/c1-9-2-5-14(13(6-9)18(23)24)25-8-15(20)17-12-4-3-10(19)7-11(12)16(21)22/h2-7,19H,8H2,1H3,(H,17,20)(H,21,22)