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

Systemtic Name: 3-methyl-4-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid CAS Name: 3-methyl-4-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-10-3-6-15(14(7-10)19(23)24)25-9-16(20)18-13-5-4-12(17(21)22)8-11(13)2/h3-8H,9H2,1-2H3,(H,18,20)(H,21,22)