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

Systemtic Name: 5-bromanyl-2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]benzoic acid Formula: C16H13BrN2O6 MolecularWeight: 409.18822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O6/c1-9-2-5-14(13(6-9)19(23)24)25-8-15(20)18-12-4-3-10(17)7-11(12)16(21)22/h2-7H,8H2,1H3,(H,18,20)(H,21,22)