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

Systemtic Name: 4-[4-acetamido-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[4-acetamido-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[4-acetamido-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C23H17N3O9 MolecularWeight: 479.39578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=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

CC(=O)NC1=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/C23H17N3O9/c1-12(27)24-14-5-8-20(35-16-6-7-17(22(29)30)18(11-16)23(31)32)19(10-14)25-21(28)13-3-2-4-15(9-13)26(33)34/h2-11H,1H3,(H,24,27)(H,25,28)(H,29,30)(H,31,32)