4-[2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]phenoxy]phthalic acid CAS Name: 4-[2-[[2-(4-hydroxy-3-nitrophenyl)-1-oxoethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[[2-(4-hydroxy-3-nitrophenyl)acetyl]amino]phenoxy]phthalic acid Traditional Name: 4-[2-[[2-(4-hydroxy-3-nitro-phenyl)acetyl]amino]phenoxy]phthalic acid Formula: C22H16N2O9 MolecularWeight: 452.37044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O9/c25-18-8-5-12(9-17(18)24(31)32)10-20(26)23-16-3-1-2-4-19(16)33-13-6-7-14(21(27)28)15(11-13)22(29)30/h1-9,11,25H,10H2,(H,23,26)(H,27,28)(H,29,30)