4-[2-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylphthalic acid

Systemtic Name: 4-[2-[(3-nitrophenyl)carbonylamino]phenyl]sulfanylphthalic acid Openeye Name: 4-[2-[(3-nitrobenzoyl)amino]phenyl]sulfanylphthalic acid CAS Name: 4-[[2-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]phthalic acid IUPAC Name: 4-[2-[(3-nitrobenzoyl)amino]phenyl]sulfanylphthalic acid Traditional Name: 4-[[2-[(3-nitrobenzoyl)amino]phenyl]thio]phthalic acid Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC(=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-])SC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14N2O7S/c24-19(12-4-3-5-13(10-12)23(29)30)22-17-6-1-2-7-18(17)31-14-8-9-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,22,24)(H,25,26)(H,27,28)