4-[2-[(3-nitrophenyl)carbonylamino]phenoxy]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[(3-nitrophenyl)carbonylamino]phenoxy]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[(3-nitrobenzoyl)amino]phenoxy]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[(3-nitrobenzoyl)amino]phenoxy]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[(3-nitrobenzoyl)amino]phenoxy]isophthalic acid Formula: C21H14N2O8 MolecularWeight: 422.34446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O8/c24-19(12-4-3-5-14(10-12)23(29)30)22-16-6-1-2-7-18(16)31-17-9-8-13(20(25)26)11-15(17)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)