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

Systemtic Name: 3-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O6/c1-10-5-6-14(13(7-10)18(22)23)24-9-15(19)17-12-4-2-3-11(8-12)16(20)21/h2-8H,9H2,1H3,(H,17,19)(H,20,21)