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

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

Systemtic Name:4-[4-cyano-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid
Openeye Name:4-[4-cyano-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
CAS Name:4-[4-cyano-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid
IUPAC Name:4-[4-cyano-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
Traditional Name:4-[4-cyano-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid
Formula: C22H13N3O8
MolecularWeight: 447.35392
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C22H13N3O8/c23-11-12-4-7-19(33-15-5-6-16(21(27)28)17(10-15)22(29)30)18(8-12)24-20(26)13-2-1-3-14(9-13)25(31)32/h1-10H,(H,24,26)(H,27,28)(H,29,30)


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