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4-[2-[(4-methyl-3-nitro-phenyl)carbonylamino]phenoxy]phthalic acid

4-[2-[(4-methyl-3-nitro-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name:4-[2-[(4-methyl-3-nitro-phenyl)carbonylamino]phenoxy]phthalic acid
Openeye Name:4-[2-[(4-methyl-3-nitro-benzoyl)amino]phenoxy]phthalic acid
CAS Name:4-[2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid
IUPAC Name:4-[2-[(4-methyl-3-nitrobenzoyl)amino]phenoxy]phthalic acid
Traditional Name:4-[2-[(4-methyl-3-nitro-benzoyl)amino]phenoxy]phthalic acid
Formula: C22H16N2O8
MolecularWeight: 436.37104
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C22H16N2O8/c1-12-6-7-13(10-18(12)24(30)31)20(25)23-17-4-2-3-5-19(17)32-14-8-9-15(21(26)27)16(11-14)22(28)29/h2-11H,1H3,(H,23,25)(H,26,27)(H,28,29)


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