4-[2-[2-(2-chloranyl-5-nitro-phenyl)ethanoylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[2-(2-chloranyl-5-nitro-phenyl)ethanoylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[[2-(2-chloro-5-nitro-phenyl)acetyl]amino]phenoxy]phthalic acid CAS Name: 4-[2-[[2-(2-chloro-5-nitrophenyl)-1-oxoethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[[2-(2-chloro-5-nitrophenyl)acetyl]amino]phenoxy]phthalic acid Traditional Name: 4-[2-[[2-(2-chloro-5-nitro-phenyl)acetyl]amino]phenoxy]phthalic acid Formula: C22H15ClN2O8 MolecularWeight: 470.8161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H15ClN2O8/c23-17-8-5-13(25(31)32)9-12(17)10-20(26)24-18-3-1-2-4-19(18)33-14-6-7-15(21(27)28)16(11-14)22(29)30/h1-9,11H,10H2,(H,24,26)(H,27,28)(H,29,30)