4-[4-methylsulfonyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[4-methylsulfonyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-methylsulfonyl-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-methylsulfonyl-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-methylsulfonyl-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-mesyl-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C22H16N2O10S MolecularWeight: 500.43484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O10S/c1-35(32,33)15-6-8-19(34-14-5-7-16(21(26)27)17(10-14)22(28)29)18(11-15)23-20(25)12-3-2-4-13(9-12)24(30)31/h2-11H,1H3,(H,23,25)(H,26,27)(H,28,29)